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]+ 422.222696 202.8
[M+Na]+ 444.204638 204.2
[M-H]- 420.208144 211.0
[M+NH4]+ 439.249243 208.4
[M+K]+ 460.178578 196.4
[M+H-H2O]+ 404.212680 188.8
[M+HCOO]- 466.213621 216.3
[M+CH3COO]- 480.229271 208.5
[M+Na-2H]- 442.190086 205.2
[M]+ 421.21487142 195.4
[M]- 421.21596858 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.