CID 96422

84254-99-9

Structural Information

Molecular Formula
C19H20ClN3
SMILES
C1CN(CCC1(C#N)NC2=CC(=CC=C2)Cl)CC3=CC=CC=C3
InChI
InChI=1S/C19H20ClN3/c20-17-7-4-8-18(13-17)22-19(15-21)9-11-23(12-10-19)14-16-5-2-1-3-6-16/h1-8,13,22H,9-12,14H2
InChIKey
RSJDUDFFVNFZPH-UHFFFAOYSA-N
Compound name
1-benzyl-4-(3-chloroanilino)piperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

325.13458 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14186 179.6
[M+Na]+ 348.12380 188.3
[M-H]- 324.12730 184.7
[M+NH4]+ 343.16840 192.4
[M+K]+ 364.09774 178.1
[M+H-H2O]+ 308.13184 164.0
[M+HCOO]- 370.13278 191.3
[M+CH3COO]- 384.14843 187.6
[M+Na-2H]- 346.10925 182.9
[M]+ 325.13403 171.5
[M]- 325.13513 171.5
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