CID 121132

Benzamide, n-(2-morpholinoethyl)-p-nitro-, hydrochloride

Structural Information

Molecular Formula
C13H17N3O4
SMILES
C1COCCN1CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H17N3O4/c17-13(11-1-3-12(4-2-11)16(18)19)14-5-6-15-7-9-20-10-8-15/h1-4H,5-10H2,(H,14,17)
InChIKey
RQUIYXDMIFXMEA-UHFFFAOYSA-N
Compound name
N-(2-morpholin-4-ylethyl)-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

279.12192 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.12920 162.1
[M+Na]+ 302.11114 164.4
[M-H]- 278.11464 166.9
[M+NH4]+ 297.15574 173.3
[M+K]+ 318.08508 159.3
[M+H-H2O]+ 262.11918 157.5
[M+HCOO]- 324.12012 182.0
[M+CH3COO]- 338.13577 193.6
[M+Na-2H]- 300.09659 168.6
[M]+ 279.12137 157.5
[M]- 279.12247 157.5
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