CID 153704

5-ahimc

Structural Information

Molecular Formula
C13H12N2O2
SMILES
CC1=CC(=O)C(=C(C1=N)C2=CC=C(C=C2)O)N
InChI
InChI=1S/C13H12N2O2/c1-7-6-10(17)13(15)11(12(7)14)8-2-4-9(16)5-3-8/h2-6,14,16H,15H2,1H3
InChIKey
BYGHPYOMCIKWKP-UHFFFAOYSA-N
Compound name
2-amino-3-(4-hydroxyphenyl)-4-imino-5-methylcyclohexa-2,5-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

228.08987 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.09715 149.5
[M+Na]+ 251.07909 158.6
[M-H]- 227.08259 155.6
[M+NH4]+ 246.12369 166.7
[M+K]+ 267.05303 153.9
[M+H-H2O]+ 211.08713 142.8
[M+HCOO]- 273.08807 173.4
[M+CH3COO]- 287.10372 194.8
[M+Na-2H]- 249.06454 152.7
[M]+ 228.08932 146.0
[M]- 228.09042 146.0
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

No patent data available for this compound.