CID 146562

115464-68-1

Structural Information

Molecular Formula

C₂₃H₂₇N₃O

SMILES

CC1=C2C=CN=C(C2=C(C3=C1NC4=C3C=C(C=C4)OC)C)NCCC(C)C

InChI

InChI=1S/C23H27N3O/c1-13(2)8-10-24-23-21-15(4)20-18-12-16(27-5)6-7-19(18)26-22(20)14(3)17(21)9-11-25-23/h6-7,9,11-13,26H,8,10H2,1-5H3,(H,24,25)

InChIKey

AIKGNCPHGNDPFI-UHFFFAOYSA-N

Compound name

9-methoxy-5,11-dimethyl-N-(3-methylbutyl)-6H-pyrido[4,3-b]carbazol-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 361.21542 Da
Monoisotopic Mass: 6.3
XlogP (predicted)

Profile

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]+	362.222696	191.9
[M+Na]+	384.204638	202.6
[M-H]-	360.208144	195.5
[M+NH4]+	379.249243	206.8
[M+K]+	400.178578	195.1
[M+H-H2O]+	344.212680	183.2
[M+HCOO]-	406.213621	210.3
[M+CH3COO]-	420.229271	202.1
[M+Na-2H]-	382.190086	195.2
[M]+	361.21487142	198.0
[M]-	361.21596858	198.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.