CID 3080047

N-(phenylmethyl)-11h-pyrido(3,2-a)carbazol-3-amine monohydrochloride

Structural Information

Molecular Formula
C22H17N3
SMILES
C1=CC=C(C=C1)CNC2=NC3=C(C=C2)C4=C(C=C3)C5=CC=CC=C5N4
InChI
InChI=1S/C22H17N3/c1-2-6-15(7-3-1)14-23-21-13-11-18-20(24-21)12-10-17-16-8-4-5-9-19(16)25-22(17)18/h1-13,25H,14H2,(H,23,24)
InChIKey
DTSRHAMGTCQDPG-UHFFFAOYSA-N
Compound name
N-benzyl-11H-pyrido[3,2-a]carbazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

323.14224 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14952 173.2
[M+Na]+ 346.13146 183.7
[M-H]- 322.13496 179.4
[M+NH4]+ 341.17606 188.3
[M+K]+ 362.10540 174.3
[M+H-H2O]+ 306.13950 163.3
[M+HCOO]- 368.14044 194.3
[M+CH3COO]- 382.15609 184.2
[M+Na-2H]- 344.11691 182.9
[M]+ 323.14169 174.4
[M]- 323.14279 174.4
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.