CID 3012644

N-((1r)-2-{[4-(2-amino-1,3-thiazol-4-yl)phenyl]amino}-1-methyl-2-oxoethyl)-1-cyclohexyl-2-(3-furyl)-1h-benzimidazole-5-carboxamide

Structural Information

Molecular Formula
C30H30N6O3S
SMILES
C[C@H](C(=O)NC1=CC=C(C=C1)C2=CSC(=N2)N)NC(=O)C3=CC4=C(C=C3)N(C(=N4)C5=COC=C5)C6CCCCC6
InChI
InChI=1S/C30H30N6O3S/c1-18(28(37)33-22-10-7-19(8-11-22)25-17-40-30(31)35-25)32-29(38)20-9-12-26-24(15-20)34-27(21-13-14-39-16-21)36(26)23-5-3-2-4-6-23/h7-18,23H,2-6H2,1H3,(H2,31,35)(H,32,38)(H,33,37)/t18-/m1/s1
InChIKey
RTZFYKLNUWZYDC-GOSISDBHSA-N
Compound name
N-[(2R)-1-[4-(2-amino-1,3-thiazol-4-yl)anilino]-1-oxopropan-2-yl]-1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

554.21 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.21728 223.1
[M+Na]+ 577.19922 227.8
[M-H]- 553.20272 238.2
[M+NH4]+ 572.24382 227.7
[M+K]+ 593.17316 223.6
[M+H-H2O]+ 537.20726 214.8
[M+HCOO]- 599.20820 238.1
[M+CH3COO]- 613.22385 230.1
[M+Na-2H]- 575.18467 218.5
[M]+ 554.20945 225.6
[M]- 554.21055 225.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.