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]+ 188.08183 137.9
[M+Na]+ 210.06377 150.2
[M+NH4]+ 205.10837 146.1
[M+K]+ 226.03771 144.5
[M-H]- 186.06727 140.9
[M+Na-2H]- 208.04922 144.6
[M]+ 187.07400 140.3
[M]- 187.07510 140.3
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

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