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

35
Patents

311.15213 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.159406 174.7
[M+Na]+ 334.141348 180.4
[M-H]- 310.144854 182.4
[M+NH4]+ 329.185953 189.5
[M+K]+ 350.115288 177.8
[M+H-H2O]+ 294.149390 165.8
[M+HCOO]- 356.150331 198.9
[M+CH3COO]- 370.165981 211.6
[M+Na-2H]- 332.126796 177.0
[M]+ 311.15158142 178.9
[M]- 311.15267858 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