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 161.6
[M+Na]+ 302.11114 172.4
[M+NH4]+ 297.15574 167.9
[M+K]+ 318.08508 170.0
[M-H]- 278.11464 166.8
[M+Na-2H]- 300.09659 166.8
[M]+ 279.12137 164.2
[M]- 279.12247 164.2
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

patents stripe