CID 3034267

111753-62-9

Structural Information

Molecular Formula
C19H21NO3
SMILES
CC(CC1=CC=C(C=C1)OC)C=NC2=CC=CC=C2C(=O)OC
InChI
InChI=1S/C19H21NO3/c1-14(12-15-8-10-16(22-2)11-9-15)13-20-18-7-5-4-6-17(18)19(21)23-3/h4-11,13-14H,12H2,1-3H3
InChIKey
DCVGBQPSFNIPPI-UHFFFAOYSA-N
Compound name
methyl 2-[[3-(4-methoxyphenyl)-2-methylpropylidene]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

37
Patents

311.15213 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15941 174.7
[M+Na]+ 334.14135 180.4
[M-H]- 310.14485 182.4
[M+NH4]+ 329.18595 189.5
[M+K]+ 350.11529 177.8
[M+H-H2O]+ 294.14939 165.8
[M+HCOO]- 356.15033 198.9
[M+CH3COO]- 370.16598 211.6
[M+Na-2H]- 332.12680 177.0
[M]+ 311.15158 178.9
[M]- 311.15268 178.9
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

patents stripe