CID 70587

1045-51-8

Structural Information

Molecular Formula
C19H22ClN3O
SMILES
C1CN(CCC1(C(=O)N)NC2=CC=C(C=C2)Cl)CC3=CC=CC=C3
InChI
InChI=1S/C19H22ClN3O/c20-16-6-8-17(9-7-16)22-19(18(21)24)10-12-23(13-11-19)14-15-4-2-1-3-5-15/h1-9,22H,10-14H2,(H2,21,24)
InChIKey
AEKOWUCMHAZKCM-UHFFFAOYSA-N
Compound name
1-benzyl-4-(4-chloroanilino)piperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

343.14514 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.152416 181.3
[M+Na]+ 366.134358 185.9
[M-H]- 342.137864 187.9
[M+NH4]+ 361.178963 194.4
[M+K]+ 382.108298 179.3
[M+H-H2O]+ 326.142400 172.0
[M+HCOO]- 388.143341 196.0
[M+CH3COO]- 402.158991 190.1
[M+Na-2H]- 364.119806 184.1
[M]+ 343.14459142 177.0
[M]- 343.14568858 177.0
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