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

18
Patents

279.12192 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.129196 162.1
[M+Na]+ 302.111138 164.4
[M-H]- 278.114644 166.9
[M+NH4]+ 297.155743 173.3
[M+K]+ 318.085078 159.3
[M+H-H2O]+ 262.119180 157.5
[M+HCOO]- 324.120121 182.0
[M+CH3COO]- 338.135771 193.6
[M+Na-2H]- 300.096586 168.6
[M]+ 279.12137142 157.5
[M]- 279.12246858 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