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 216.6
[M+Na]+ 511.23159 213.7
[M-H]- 487.23509 223.6
[M+NH4]+ 506.27619 217.2
[M+K]+ 527.20553 204.2
[M+H-H2O]+ 471.23963 206.5
[M+HCOO]- 533.24057 231.6
[M+CH3COO]- 547.25622 234.7
[M+Na-2H]- 509.21704 218.5
[M]+ 488.24182 210.6
[M]- 488.24292 210.6
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.