CID 32212

Sco 940

Structural Information

Molecular Formula
C20H24N2O4
SMILES
CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)OCCN(C)C)C(=O)OC
InChI
InChI=1S/C20H24N2O4/c1-14-7-5-6-8-17(14)21-19(23)15-9-10-18(26-12-11-22(2)3)16(13-15)20(24)25-4/h5-10,13H,11-12H2,1-4H3,(H,21,23)
InChIKey
MHAVNJGHUXLFFW-UHFFFAOYSA-N
Compound name
methyl 2-[2-(dimethylamino)ethoxy]-5-[(2-methylphenyl)carbamoyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.1736 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.180876 186.1
[M+Na]+ 379.162818 190.8
[M-H]- 355.166324 193.9
[M+NH4]+ 374.207423 198.7
[M+K]+ 395.136758 189.5
[M+H-H2O]+ 339.170860 176.7
[M+HCOO]- 401.171801 210.1
[M+CH3COO]- 415.187451 224.0
[M+Na-2H]- 377.148266 186.5
[M]+ 356.17305142 191.1
[M]- 356.17414858 191.1
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

No patent data available for this compound.