CID 60813

Lesopitron

Structural Information

Molecular Formula
C15H21ClN6
SMILES
C1CN(CCN1CCCCN2C=C(C=N2)Cl)C3=NC=CC=N3
InChI
InChI=1S/C15H21ClN6/c16-14-12-19-22(13-14)7-2-1-6-20-8-10-21(11-9-20)15-17-4-3-5-18-15/h3-5,12-13H,1-2,6-11H2
InChIKey
AHCPKWJUALHOPH-UHFFFAOYSA-N
Compound name
2-[4-[4-(4-chloropyrazol-1-yl)butyl]piperazin-1-yl]pyrimidine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

15
References

1444
Patents

320.1516 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.15888 176.4
[M+Na]+ 343.14082 182.9
[M-H]- 319.14432 176.5
[M+NH4]+ 338.18542 184.1
[M+K]+ 359.11476 176.2
[M+H-H2O]+ 303.14886 162.5
[M+HCOO]- 365.14980 184.8
[M+CH3COO]- 379.16545 183.9
[M+Na-2H]- 341.12627 177.7
[M]+ 320.15105 174.8
[M]- 320.15215 174.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe