CID 4100752

111753-60-7

Structural Information

Molecular Formula
C19H19NO4
SMILES
CC(CC1=CC2=C(C=C1)OCO2)C=NC3=CC=CC=C3C(=O)OC
InChI
InChI=1S/C19H19NO4/c1-13(9-14-7-8-17-18(10-14)24-12-23-17)11-20-16-6-4-3-5-15(16)19(21)22-2/h3-8,10-11,13H,9,12H2,1-2H3
InChIKey
FMKWHJXRMHLTPO-UHFFFAOYSA-N
Compound name
methyl 2-[[3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

39
Patents

325.1314 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13868 176.1
[M+Na]+ 348.12062 188.3
[M+NH4]+ 343.16522 183.4
[M+K]+ 364.09456 184.1
[M-H]- 324.12412 182.7
[M+Na-2H]- 346.10607 181.2
[M]+ 325.13085 179.6
[M]- 325.13195 179.6
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