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]+ 357.18088 186.1
[M+Na]+ 379.16282 190.8
[M-H]- 355.16632 193.9
[M+NH4]+ 374.20742 198.7
[M+K]+ 395.13676 189.5
[M+H-H2O]+ 339.17086 176.7
[M+HCOO]- 401.17180 210.1
[M+CH3COO]- 415.18745 224.0
[M+Na-2H]- 377.14827 186.5
[M]+ 356.17305 191.1
[M]- 356.17415 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.