CID 170726

Benzamide, n-[3-[bis[2-(acetyloxy)ethyl]amino]phenyl]-

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 192.6
[M+Na]+ 407.15774 194.9
[M-H]- 383.16124 199.5
[M+NH4]+ 402.20234 203.2
[M+K]+ 423.13168 194.0
[M+H-H2O]+ 367.16578 182.6
[M+HCOO]- 429.16672 215.7
[M+CH3COO]- 443.18237 226.0
[M+Na-2H]- 405.14319 192.9
[M]+ 384.16797 197.1
[M]- 384.16907 197.1
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

patents stripe