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 175.7
[M+Na]+ 334.12927 179.8
[M-H]- 310.13277 179.8
[M+NH4]+ 329.17387 190.9
[M+K]+ 350.10321 176.7
[M+H-H2O]+ 294.13731 168.5
[M+HCOO]- 356.13825 196.1
[M+CH3COO]- 370.15390 215.3
[M+Na-2H]- 332.11472 177.0
[M]+ 311.13950 179.3
[M]- 311.14060 179.3
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

No patent data available for this compound.