CID 66860

2,5-cyclohexadien-1-one, 4-[(4-amino-3-methylphenyl)imino]-

Structural Information

Molecular Formula
C13H12N2O
SMILES
CC1=C(C=CC(=C1)N=C2C=CC(=O)C=C2)N
InChI
InChI=1S/C13H12N2O/c1-9-8-11(4-7-13(9)14)15-10-2-5-12(16)6-3-10/h2-8H,14H2,1H3
InChIKey
RWIMGHAFJNQGDH-UHFFFAOYSA-N
Compound name
4-(4-amino-3-methylphenyl)iminocyclohexa-2,5-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.09496 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.10224 145.5
[M+Na]+ 235.08418 153.8
[M-H]- 211.08768 153.7
[M+NH4]+ 230.12878 164.3
[M+K]+ 251.05812 150.1
[M+H-H2O]+ 195.09222 138.1
[M+HCOO]- 257.09316 172.4
[M+CH3COO]- 271.10881 194.2
[M+Na-2H]- 233.06963 151.2
[M]+ 212.09441 143.4
[M]- 212.09551 143.4
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.