CID 109172

68140-57-8

Structural Information

Molecular Formula
C21H27NO2
SMILES
CC(C=CC1C=CCCC1(C)C)C=NC2=CC=CC=C2C(=O)OC
InChI
InChI=1S/C21H27NO2/c1-16(12-13-17-9-7-8-14-21(17,2)3)15-22-19-11-6-5-10-18(19)20(23)24-4/h5-7,9-13,15-17H,8,14H2,1-4H3
InChIKey
UJEHPJROBVIUFU-UHFFFAOYSA-N
Compound name
methyl 2-[[4-(6,6-dimethylcyclohex-2-en-1-yl)-2-methylbut-3-enylidene]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.2042 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.21148 180.6
[M+Na]+ 348.19342 185.0
[M-H]- 324.19692 187.7
[M+NH4]+ 343.23802 197.0
[M+K]+ 364.16736 181.5
[M+H-H2O]+ 308.20146 172.7
[M+HCOO]- 370.20240 201.4
[M+CH3COO]- 384.21805 214.3
[M+Na-2H]- 346.17887 181.2
[M]+ 325.20365 180.9
[M]- 325.20475 180.9
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.