CID 5284476

Trp-p-2

Structural Information

Molecular Formula
C12H11N3
SMILES
CC1=C2C3=CC=CC=C3NC2=CC(=N1)N
InChI
InChI=1S/C12H11N3/c1-7-12-8-4-2-3-5-9(8)15-10(12)6-11(13)14-7/h2-6,15H,1H3,(H2,13,14)
InChIKey
LKKMLIBUAXYLOY-UHFFFAOYSA-N
Compound name
1-methyl-5H-pyrido[4,3-b]indol-3-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

216
References

1976
Patents

197.09529 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.10257 141.0
[M+Na]+ 220.08451 152.7
[M-H]- 196.08801 143.3
[M+NH4]+ 215.12911 161.1
[M+K]+ 236.05845 146.7
[M+H-H2O]+ 180.09255 134.1
[M+HCOO]- 242.09349 162.9
[M+CH3COO]- 256.10914 154.4
[M+Na-2H]- 218.06996 149.1
[M]+ 197.09474 140.6
[M]- 197.09584 140.6
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