CID 23325769

Schembl10893492

Structural Information

Molecular Formula
C15H21NO4
SMILES
CC1=CC(=CC=C1)N(CCC(=O)OC)CCC(=O)OC
InChI
InChI=1S/C15H21NO4/c1-12-5-4-6-13(11-12)16(9-7-14(17)19-2)10-8-15(18)20-3/h4-6,11H,7-10H2,1-3H3
InChIKey
VFPXZBJPIRXBGE-UHFFFAOYSA-N
Compound name
methyl 3-(N-(3-methoxy-3-oxopropyl)-3-methylanilino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

279.14706 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.154336 165.9
[M+Na]+ 302.136278 170.9
[M-H]- 278.139784 170.3
[M+NH4]+ 297.180883 182.1
[M+K]+ 318.110218 170.9
[M+H-H2O]+ 262.144320 158.3
[M+HCOO]- 324.145261 189.3
[M+CH3COO]- 338.160911 205.7
[M+Na-2H]- 300.121726 167.3
[M]+ 279.14651142 171.8
[M]- 279.14760858 171.8
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