CID 4118312

114165-03-6

Structural Information

Molecular Formula
C10H9N3O
SMILES
C1=CC=C2C(=C1)C=C(C=N2)NNC=O
InChI
InChI=1S/C10H9N3O/c14-7-12-13-9-5-8-3-1-2-4-10(8)11-6-9/h1-7,13H,(H,12,14)
InChIKey
NYANIMJIUIFABV-UHFFFAOYSA-N
Compound name
N-(quinolin-3-ylamino)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.07455 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.081826 135.4
[M+Na]+ 210.063768 143.3
[M-H]- 186.067274 138.7
[M+NH4]+ 205.108373 154.1
[M+K]+ 226.037708 140.0
[M+H-H2O]+ 170.071810 128.0
[M+HCOO]- 232.072751 160.8
[M+CH3COO]- 246.088401 186.5
[M+Na-2H]- 208.049216 146.7
[M]+ 187.07400142 134.7
[M]- 187.07509858 134.7
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.