CID 4279273

4-benzhydryl-n-(1-naphthyl)-1-piperazinecarboxamide

Structural Information

Molecular Formula
C28H27N3O
SMILES
C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C28H27N3O/c32-28(29-26-17-9-15-22-10-7-8-16-25(22)26)31-20-18-30(19-21-31)27(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-17,27H,18-21H2,(H,29,32)
InChIKey
XKGUYRWNNMXUQO-UHFFFAOYSA-N
Compound name
4-benzhydryl-N-naphthalen-1-ylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.21542 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.22270 202.8
[M+Na]+ 444.20464 204.2
[M-H]- 420.20814 211.0
[M+NH4]+ 439.24924 208.4
[M+K]+ 460.17858 196.4
[M+H-H2O]+ 404.21268 188.8
[M+HCOO]- 466.21362 216.3
[M+CH3COO]- 480.22927 208.5
[M+Na-2H]- 442.19009 205.2
[M]+ 421.21487 195.4
[M]- 421.21597 195.4
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.