CID 721197

Dimethyl 5-[(4-methylbenzoyl)amino]isophthalate

Structural Information

Molecular Formula
C18H17NO5
SMILES
CC1=CC=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC
InChI
InChI=1S/C18H17NO5/c1-11-4-6-12(7-5-11)16(20)19-15-9-13(17(21)23-2)8-14(10-15)18(22)24-3/h4-10H,1-3H3,(H,19,20)
InChIKey
OATUHJJOSYMAEF-UHFFFAOYSA-N
Compound name
dimethyl 5-[(4-methylbenzoyl)amino]benzene-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

327.1107 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.11798 174.9
[M+Na]+ 350.09992 186.5
[M+NH4]+ 345.14452 180.3
[M+K]+ 366.07386 181.8
[M-H]- 326.10342 177.4
[M+Na-2H]- 348.08537 181.0
[M]+ 327.11015 177.0
[M]- 327.11125 177.0
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