CID 153725

6h-pyrido(4,3-b)carbazole, 1-((2-aminoethyl)amino)-9-methoxy-5-methyl-, hemihydrate

Structural Information

Molecular Formula
C19H20N4O
SMILES
CC1=C2C=CN=C(C2=CC3=C1NC4=C3C=C(C=C4)OC)NCCN
InChI
InChI=1S/C19H20N4O/c1-11-13-5-7-21-19(22-8-6-20)16(13)10-15-14-9-12(24-2)3-4-17(14)23-18(11)15/h3-5,7,9-10,23H,6,8,20H2,1-2H3,(H,21,22)
InChIKey
DDCKUULCSVIYPY-UHFFFAOYSA-N
Compound name
N'-(9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.1637 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.17098 174.1
[M+Na]+ 343.15292 185.4
[M-H]- 319.15642 177.6
[M+NH4]+ 338.19752 190.1
[M+K]+ 359.12686 178.0
[M+H-H2O]+ 303.16096 165.7
[M+HCOO]- 365.16190 195.7
[M+CH3COO]- 379.17755 185.4
[M+Na-2H]- 341.13837 181.6
[M]+ 320.16315 177.9
[M]- 320.16425 177.9
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

No patent data available for this compound.