CID 170726

43051-43-0

Structural Information

Molecular Formula
C21H24N2O5
SMILES
CC(=O)OCCN(CCOC(=O)C)C1=CC=CC(=C1)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C21H24N2O5/c1-16(24)27-13-11-23(12-14-28-17(2)25)20-10-6-9-19(15-20)22-21(26)18-7-4-3-5-8-18/h3-10,15H,11-14H2,1-2H3,(H,22,26)
InChIKey
HOGOIYHXIXLXGA-UHFFFAOYSA-N
Compound name
2-[N-(2-acetyloxyethyl)-3-benzamidoanilino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

384.16852 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.17580 191.7
[M+Na]+ 407.15774 200.7
[M+NH4]+ 402.20234 196.1
[M+K]+ 423.13168 195.9
[M-H]- 383.16124 194.4
[M+Na-2H]- 405.14319 197.3
[M]+ 384.16797 193.3
[M]- 384.16907 193.3
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