CID 1044021

Benzamide, 2-methoxy-5-nitro-n-(4-(phenylmethyl)-1-piperazinyl)-, dihydrochloride

Structural Information

Molecular Formula
C19H22N4O4
SMILES
COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NN2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C19H22N4O4/c1-27-18-8-7-16(23(25)26)13-17(18)19(24)20-22-11-9-21(10-12-22)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,20,24)
InChIKey
KMVCPKPBKKAQIH-UHFFFAOYSA-N
Compound name
N-(4-benzylpiperazin-1-yl)-2-methoxy-5-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.1641 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.17138 185.1
[M+Na]+ 393.15332 197.6
[M+NH4]+ 388.19792 190.8
[M+K]+ 409.12726 193.8
[M-H]- 369.15682 190.9
[M+Na-2H]- 391.13877 192.6
[M]+ 370.16355 188.1
[M]- 370.16465 188.1
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.