CID 153726

1-((3-(dimethylamino)propyl)amino)-5,11-dimethyl-9-methoxy-6h-pyrido(4,3-b)carbazole ethanol

Structural Information

Molecular Formula
C23H28N4O
SMILES
CC1=C2C=CN=C(C2=C(C3=C1NC4=C3C=C(C=C4)OC)C)NCCCN(C)C
InChI
InChI=1S/C23H28N4O/c1-14-17-9-11-25-23(24-10-6-12-27(3)4)21(17)15(2)20-18-13-16(28-5)7-8-19(18)26-22(14)20/h7-9,11,13,26H,6,10,12H2,1-5H3,(H,24,25)
InChIKey
SGVCFQKSBLMBTC-UHFFFAOYSA-N
Compound name
N-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)-N',N'-dimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

376.22632 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.23360 194.7
[M+Na]+ 399.21554 204.9
[M-H]- 375.21904 199.5
[M+NH4]+ 394.26014 209.3
[M+K]+ 415.18948 198.3
[M+H-H2O]+ 359.22358 185.3
[M+HCOO]- 421.22452 215.7
[M+CH3COO]- 435.24017 205.0
[M+Na-2H]- 397.20099 199.3
[M]+ 376.22577 202.0
[M]- 376.22687 202.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe