CID 163052

64544-24-7

Structural Information

Molecular Formula
C13H17ClN2O3
SMILES
C1COCC[N+]1(CCNC(=O)C2=CC=C(C=C2)Cl)[O-]
InChI
InChI=1S/C13H17ClN2O3/c14-12-3-1-11(2-4-12)13(17)15-5-6-16(18)7-9-19-10-8-16/h1-4H,5-10H2,(H,15,17)
InChIKey
CJTZZADPEGGIMM-UHFFFAOYSA-N
Compound name
4-chloro-N-[2-(4-oxidomorpholin-4-ium-4-yl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

20
Patents

284.09277 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10005 162.0
[M+Na]+ 307.08199 166.2
[M-H]- 283.08549 165.2
[M+NH4]+ 302.12659 176.0
[M+K]+ 323.05593 158.4
[M+H-H2O]+ 267.09003 159.7
[M+HCOO]- 329.09097 175.1
[M+CH3COO]- 343.10662 187.4
[M+Na-2H]- 305.06744 168.9
[M]+ 284.09222 158.2
[M]- 284.09332 158.2
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.