CID 440743

Formyl-5-hydroxykynurenamine

Structural Information

Molecular Formula
C10H12N2O3
SMILES
C1=CC(=C(C=C1O)C(=O)CCN)NC=O
InChI
InChI=1S/C10H12N2O3/c11-4-3-10(15)8-5-7(14)1-2-9(8)12-6-13/h1-2,5-6,14H,3-4,11H2,(H,12,13)
InChIKey
CKAXPTWYSHDIBN-UHFFFAOYSA-N
Compound name
N-[2-(3-aminopropanoyl)-4-hydroxyphenyl]formamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

81
Patents

208.0848 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09208 143.9
[M+Na]+ 231.07402 150.6
[M-H]- 207.07752 146.0
[M+NH4]+ 226.11862 161.2
[M+K]+ 247.04796 148.1
[M+H-H2O]+ 191.08206 137.4
[M+HCOO]- 253.08300 168.0
[M+CH3COO]- 267.09865 188.9
[M+Na-2H]- 229.05947 147.9
[M]+ 208.08425 142.7
[M]- 208.08535 142.7
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