CID 3087873

Benzamide, n-(2-(4-(2-(diphenylmethoxy)ethyl)-1-piperazinyl)ethyl)-2-nitro-, dimethanesulfonate

Structural Information

Molecular Formula
C28H32N4O4
SMILES
C1CN(CCN1CCNC(=O)C2=CC=CC=C2[N+](=O)[O-])CCOC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H32N4O4/c33-28(25-13-7-8-14-26(25)32(34)35)29-15-16-30-17-19-31(20-18-30)21-22-36-27(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-14,27H,15-22H2,(H,29,33)
InChIKey
FNIUERYUJHQKPN-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]ethyl]-2-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

488.24237 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.24965 217.7
[M+Na]+ 511.23159 230.3
[M+NH4]+ 506.27619 222.8
[M+K]+ 527.20553 224.7
[M-H]- 487.23509 225.7
[M+Na-2H]- 509.21704 226.8
[M]+ 488.24182 221.4
[M]- 488.24292 221.4
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.