CID 59892

Benzamide, 4-((chloroacetyl)amino)-n-(2-(diethylamino)ethyl)-, ethanedioate (1:1)

Structural Information

Molecular Formula
C15H22ClN3O2
SMILES
CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)CCl
InChI
InChI=1S/C15H22ClN3O2/c1-3-19(4-2)10-9-17-15(21)12-5-7-13(8-6-12)18-14(20)11-16/h5-8H,3-4,9-11H2,1-2H3,(H,17,21)(H,18,20)
InChIKey
YLRVRNVXMJXROY-UHFFFAOYSA-N
Compound name
4-[(2-chloroacetyl)amino]-N-[2-(diethylamino)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.14005 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.14733 174.3
[M+Na]+ 334.12927 183.0
[M+NH4]+ 329.17387 180.5
[M+K]+ 350.10321 177.0
[M-H]- 310.13277 176.5
[M+Na-2H]- 332.11472 178.6
[M]+ 311.13950 176.0
[M]- 311.14060 176.0
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

No patent data available for this compound.