CID 407910

2667-28-9

Structural Information

Molecular Formula
C16H17NO2
SMILES
CC1=CC(=C(C=C1N=C2C=CC(=O)C=C2)C(C)C)O
InChI
InChI=1S/C16H17NO2/c1-10(2)14-9-15(11(3)8-16(14)19)17-12-4-6-13(18)7-5-12/h4-10,19H,1-3H3
InChIKey
VMALKKWZDTZFCA-UHFFFAOYSA-N
Compound name
4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)iminocyclohexa-2,5-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

255.12593 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.133206 157.7
[M+Na]+ 278.115148 165.6
[M-H]- 254.118654 165.0
[M+NH4]+ 273.159753 174.9
[M+K]+ 294.089088 162.0
[M+H-H2O]+ 238.123190 150.5
[M+HCOO]- 300.124131 180.9
[M+CH3COO]- 314.139781 200.6
[M+Na-2H]- 276.100596 160.1
[M]+ 255.12538142 157.8
[M]- 255.12647858 157.8
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

patents stripe