CID 60141847

Piperazine urea derivative 4

Structural Information

Molecular Formula
C21H26N4O
SMILES
C1CN(CCC1CC2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)C(=N)N
InChI
InChI=1S/C21H26N4O/c22-20(23)19-8-6-18(7-9-19)15-24-21(26)25-12-10-17(11-13-25)14-16-4-2-1-3-5-16/h1-9,17H,10-15H2,(H3,22,23)(H,24,26)
InChIKey
PPLAJHCOIUEWGN-UHFFFAOYSA-N
Compound name
4-benzyl-N-[(4-carbamimidoylphenyl)methyl]piperidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

350.21066 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.21794 184.9
[M+Na]+ 373.19988 185.9
[M-H]- 349.20338 191.1
[M+NH4]+ 368.24448 194.3
[M+K]+ 389.17382 180.4
[M+H-H2O]+ 333.20792 174.1
[M+HCOO]- 395.20886 203.6
[M+CH3COO]- 409.22451 220.5
[M+Na-2H]- 371.18533 185.7
[M]+ 350.21011 176.4
[M]- 350.21121 176.4
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

patents stripe