CID 3019786

84255-00-5

Structural Information

Molecular Formula
C19H20ClN3
SMILES
C1CN(CCC1(C#N)NC2=CC=CC=C2Cl)CC3=CC=CC=C3
InChI
InChI=1S/C19H20ClN3/c20-17-8-4-5-9-18(17)22-19(15-21)10-12-23(13-11-19)14-16-6-2-1-3-7-16/h1-9,22H,10-14H2
InChIKey
TVNMBSRPUFFJBV-UHFFFAOYSA-N
Compound name
1-benzyl-4-(2-chloroanilino)piperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.13458 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.141856 179.6
[M+Na]+ 348.123798 188.3
[M-H]- 324.127304 184.7
[M+NH4]+ 343.168403 192.4
[M+K]+ 364.097738 178.1
[M+H-H2O]+ 308.131840 164.0
[M+HCOO]- 370.132781 191.3
[M+CH3COO]- 384.148431 187.6
[M+Na-2H]- 346.109246 182.9
[M]+ 325.13403142 171.5
[M]- 325.13512858 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

No patent data available for this compound.