PubChemLite - Brn 5661405 (C27H36N6O)

Structural Information

Molecular Formula

SMILES

CC1=C2C=CN=C(C2=CC3=C1NC4=C3C=C(C=C4)OC)NCCCN5CCN(CC5)CCCN

InChI

InChI=1S/C27H36N6O/c1-19-21-7-10-30-27(29-9-4-12-33-15-13-32(14-16-33)11-3-8-28)24(21)18-23-22-17-20(34-2)5-6-25(22)31-26(19)23/h5-7,10,17-18,31H,3-4,8-9,11-16,28H2,1-2H3,(H,29,30)

InChIKey

RSNZOPVOLKGKOR-UHFFFAOYSA-N

Compound name

N-[3-[4-(3-aminopropyl)piperazin-1-yl]propyl]-9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-amine

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]+	461.30235	218.2
[M+Na]+	483.28429	231.8
[M+NH4]+	478.32889	224.5
[M+K]+	499.25823	224.0
[M-H]-	459.28779	222.7
[M+Na-2H]-	481.26974	222.1
[M]+	460.29452	221.3
[M]-	460.29562	221.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

461.30235

218.2

[M+Na]+

483.28429

231.8

[M+NH4]+

478.32889

224.5

[M+K]+

499.25823

224.0

[M-H]-

459.28779

222.7

[M+Na-2H]-

481.26974

222.1

[M]+

460.29452

221.3

[M]-

460.29562

221.3

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

Brn 5661405

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe