CID 118957

Brn 0935388

Structural Information

Molecular Formula
C23H26N4
SMILES
C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=NN=CC=C4
InChI
InChI=1S/C23H26N4/c1-3-8-20(9-4-1)22(21-10-5-2-6-11-21)13-15-26-16-18-27(19-17-26)23-12-7-14-24-25-23/h1-12,14,22H,13,15-19H2
InChIKey
JJJJNMZRKHIJBC-UHFFFAOYSA-N
Compound name
3-[4-(3,3-diphenylpropyl)piperazin-1-yl]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.21576 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.22304 189.5
[M+Na]+ 381.20498 192.0
[M-H]- 357.20848 194.2
[M+NH4]+ 376.24958 194.5
[M+K]+ 397.17892 184.2
[M+H-H2O]+ 341.21302 174.8
[M+HCOO]- 403.21396 202.0
[M+CH3COO]- 417.22961 195.7
[M+Na-2H]- 379.19043 192.8
[M]+ 358.21521 183.1
[M]- 358.21631 183.1
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.