CID 5284474

Trp-p-1

Structural Information

Molecular Formula
C13H13N3
SMILES
CC1=C2C(=C(N=C1N)C)C3=CC=CC=C3N2
InChI
InChI=1S/C13H13N3/c1-7-12-11(8(2)15-13(7)14)9-5-3-4-6-10(9)16-12/h3-6,16H,1-2H3,(H2,14,15)
InChIKey
LVTKHGUGBGNBPL-UHFFFAOYSA-N
Compound name
1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

193
References

6061
Patents

211.11095 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.118226 146.4
[M+Na]+ 234.100168 158.6
[M-H]- 210.103674 148.9
[M+NH4]+ 229.144773 166.3
[M+K]+ 250.074108 152.4
[M+H-H2O]+ 194.108210 139.6
[M+HCOO]- 256.109151 167.9
[M+CH3COO]- 270.124801 159.7
[M+Na-2H]- 232.085616 153.1
[M]+ 211.11040142 146.8
[M]- 211.11149858 146.8
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