CID 230770

2-aminoquinoline-4-carboxamide

Structural Information

Molecular Formula
C10H9N3O
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)N)C(=O)N
InChI
InChI=1S/C10H9N3O/c11-9-5-7(10(12)14)6-3-1-2-4-8(6)13-9/h1-5H,(H2,11,13)(H2,12,14)
InChIKey
NMRWCMUREKFWON-UHFFFAOYSA-N
Compound name
2-aminoquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

187.07455 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.081826 137.8
[M+Na]+ 210.063768 146.5
[M-H]- 186.067274 140.7
[M+NH4]+ 205.108373 156.4
[M+K]+ 226.037708 143.0
[M+H-H2O]+ 170.071810 130.9
[M+HCOO]- 232.072751 160.9
[M+CH3COO]- 246.088401 187.4
[M+Na-2H]- 208.049216 145.0
[M]+ 187.07400142 134.9
[M]- 187.07509858 134.9
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