CID 3017773

4-(propoxycarbonyl)phenyl 3-amino-4-methylbenzoate

Structural Information

Molecular Formula
C18H19NO4
SMILES
CCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C)N
InChI
InChI=1S/C18H19NO4/c1-3-10-22-17(20)13-6-8-15(9-7-13)23-18(21)14-5-4-12(2)16(19)11-14/h4-9,11H,3,10,19H2,1-2H3
InChIKey
FCHWUWAOAMZMMT-UHFFFAOYSA-N
Compound name
(4-propoxycarbonylphenyl) 3-amino-4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

313.1314 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.13868 173.6
[M+Na]+ 336.12062 180.1
[M-H]- 312.12412 180.0
[M+NH4]+ 331.16522 187.6
[M+K]+ 352.09456 177.4
[M+H-H2O]+ 296.12866 165.3
[M+HCOO]- 358.12960 196.2
[M+CH3COO]- 372.14525 209.0
[M+Na-2H]- 334.10607 174.3
[M]+ 313.13085 176.5
[M]- 313.13195 176.5
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