CID 365583

Nsc633382

Structural Information

Molecular Formula
C14H13N3O2
SMILES
CCOC(=O)C1=NC=C2C(=C1)C3=C(C=CC=C3N2)N
InChI
InChI=1S/C14H13N3O2/c1-2-19-14(18)11-6-8-12(7-16-11)17-10-5-3-4-9(15)13(8)10/h3-7,17H,2,15H2,1H3
InChIKey
MTMKKQZHXHWHCI-UHFFFAOYSA-N
Compound name
ethyl 5-amino-9H-pyrido[3,4-b]indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

255.10077 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10805 156.2
[M+Na]+ 278.08999 166.5
[M-H]- 254.09349 158.3
[M+NH4]+ 273.13459 173.6
[M+K]+ 294.06393 161.4
[M+H-H2O]+ 238.09803 148.8
[M+HCOO]- 300.09897 176.8
[M+CH3COO]- 314.11462 168.3
[M+Na-2H]- 276.07544 162.1
[M]+ 255.10022 157.8
[M]- 255.10132 157.8
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.