CID 154224

9-(4'-aminophenyl)-9h-pyrido[3,4-b]indole

Structural Information

Molecular Formula
C17H13N3
SMILES
C1=CC=C2C(=C1)C3=C(N2C4=CC=C(C=C4)N)C=NC=C3
InChI
InChI=1S/C17H13N3/c18-12-5-7-13(8-6-12)20-16-4-2-1-3-14(16)15-9-10-19-11-17(15)20/h1-11H,18H2
InChIKey
CKJBUSARXRFUDR-UHFFFAOYSA-N
Compound name
4-pyrido[3,4-b]indol-9-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

36
Patents

259.11096 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.11824 157.6
[M+Na]+ 282.10018 168.7
[M-H]- 258.10368 164.1
[M+NH4]+ 277.14478 175.2
[M+K]+ 298.07412 161.7
[M+H-H2O]+ 242.10822 148.6
[M+HCOO]- 304.10916 180.5
[M+CH3COO]- 318.12481 170.4
[M+Na-2H]- 280.08563 165.7
[M]+ 259.11041 158.1
[M]- 259.11151 158.1
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