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
2
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]+ 385.175796 192.6
[M+Na]+ 407.157738 194.9
[M-H]- 383.161244 199.5
[M+NH4]+ 402.202343 203.2
[M+K]+ 423.131678 194.0
[M+H-H2O]+ 367.165780 182.6
[M+HCOO]- 429.166721 215.7
[M+CH3COO]- 443.182371 226.0
[M+Na-2H]- 405.143186 192.9
[M]+ 384.16797142 197.1
[M]- 384.16906858 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