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
4
Annotation Hits

193
References

5730
Patents

211.11095 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.11823 146.4
[M+Na]+ 234.10017 158.6
[M-H]- 210.10367 148.9
[M+NH4]+ 229.14477 166.3
[M+K]+ 250.07411 152.4
[M+H-H2O]+ 194.10821 139.6
[M+HCOO]- 256.10915 167.9
[M+CH3COO]- 270.12480 159.7
[M+Na-2H]- 232.08562 153.1
[M]+ 211.11040 146.8
[M]- 211.11150 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.