CID 11779519

2-isopropyl-2-(2-methylphenyl)-5-(1-piperazinyl)pentanenitrile dihydrochloride

Structural Information

Molecular Formula
C19H29N3
SMILES
CC1=CC=CC=C1C(CCCN2CCNCC2)(C#N)C(C)C
InChI
InChI=1S/C19H29N3/c1-16(2)19(15-20,18-8-5-4-7-17(18)3)9-6-12-22-13-10-21-11-14-22/h4-5,7-8,16,21H,6,9-14H2,1-3H3
InChIKey
FHQBVRVZHVUZQJ-UHFFFAOYSA-N
Compound name
2-(2-methylphenyl)-5-piperazin-1-yl-2-propan-2-ylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

299.23615 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.24343 176.0
[M+Na]+ 322.22537 180.4
[M-H]- 298.22887 175.7
[M+NH4]+ 317.26997 185.8
[M+K]+ 338.19931 174.3
[M+H-H2O]+ 282.23341 160.4
[M+HCOO]- 344.23435 184.8
[M+CH3COO]- 358.25000 214.1
[M+Na-2H]- 320.21082 176.6
[M]+ 299.23560 166.0
[M]- 299.23670 166.0
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