PubChemLite - Sgc-cbp30 (C28H33ClN4O3)

Structural Information

Molecular Formula

SMILES

CC1=C(C(=NO1)C)C2=CC3=C(C=C2)N(C(=N3)CCC4=CC(=C(C=C4)OC)Cl)C[C@H](C)N5CCOCC5

InChI

InChI=1S/C28H33ClN4O3/c1-18(32-11-13-35-14-12-32)17-33-25-8-7-22(28-19(2)31-36-20(28)3)16-24(25)30-27(33)10-6-21-5-9-26(34-4)23(29)15-21/h5,7-9,15-16,18H,6,10-14,17H2,1-4H3/t18-/m0/s1

InChIKey

GEPYBHCJBORHCE-SFHVURJKSA-N

Compound name

4-[(2S)-1-[2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]propan-2-yl]morpholine

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	509.23140	228.8
[M+Na]+	531.21334	236.9
[M-H]-	507.21684	238.7
[M+NH4]+	526.25794	232.4
[M+K]+	547.18728	231.5
[M+H-H2O]+	491.22138	216.7
[M+HCOO]-	553.22232	236.3
[M+CH3COO]-	567.23797	235.7
[M+Na-2H]-	529.19879	221.6
[M]+	508.22357	236.1
[M]-	508.22467	236.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

509.23140

228.8

[M+Na]+

531.21334

236.9

[M-H]-

507.21684

238.7

[M+NH4]+

526.25794

232.4

[M+K]+

547.18728

231.5

[M+H-H2O]+

491.22138

216.7

[M+HCOO]-

553.22232

236.3

[M+CH3COO]-

567.23797

235.7

[M+Na-2H]-

529.19879

221.6

[M]+

508.22357

236.1

[M]-

508.22467

236.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Sgc-cbp30

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe