CID 118831

35473-24-6

Structural Information

Molecular Formula
C25H25NO4
SMILES
CC1=CC(=CC=C1)N(CCOC(=O)C2=CC=CC=C2)CCOC(=O)C3=CC=CC=C3
InChI
InChI=1S/C25H25NO4/c1-20-9-8-14-23(19-20)26(15-17-29-24(27)21-10-4-2-5-11-21)16-18-30-25(28)22-12-6-3-7-13-22/h2-14,19H,15-18H2,1H3
InChIKey
OKHLRTNFXBTUBG-UHFFFAOYSA-N
Compound name
2-[N-(2-benzoyloxyethyl)-3-methylanilino]ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

403.17834 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.18562 198.9
[M+Na]+ 426.16756 212.3
[M+NH4]+ 421.21216 205.5
[M+K]+ 442.14150 204.1
[M-H]- 402.17106 205.2
[M+Na-2H]- 424.15301 208.9
[M]+ 403.17779 202.6
[M]- 403.17889 202.6
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