CID 101555

Benzoic acid, 2-[[2-methyl-3-[4-(1-methylethyl)phenyl]propylidene]amino]-, methyl ester

Structural Information

Molecular Formula
C21H25NO2
SMILES
CC(C)C1=CC=C(C=C1)CC(C)C=NC2=CC=CC=C2C(=O)OC
InChI
InChI=1S/C21H25NO2/c1-15(2)18-11-9-17(10-12-18)13-16(3)14-22-20-8-6-5-7-19(20)21(23)24-4/h5-12,14-16H,13H2,1-4H3
InChIKey
GPMKWOCILXNQON-UHFFFAOYSA-N
Compound name
methyl 2-[[2-methyl-3-(4-propan-2-ylphenyl)propylidene]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

13
Patents

323.18854 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.195816 180.6
[M+Na]+ 346.177758 185.3
[M-H]- 322.181264 188.0
[M+NH4]+ 341.222363 194.9
[M+K]+ 362.151698 182.2
[M+H-H2O]+ 306.185800 171.8
[M+HCOO]- 368.186741 202.9
[M+CH3COO]- 382.202391 216.4
[M+Na-2H]- 344.163206 180.6
[M]+ 323.18799142 183.5
[M]- 323.18908858 183.5
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