CID 395128

Nsc699419

Structural Information

Molecular Formula
C23H25ClN4
SMILES
CC1=CC=C(C=C1)CC2=CC(=NN=C2C)N3CCN(CC3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C23H25ClN4/c1-17-6-8-19(9-7-17)14-20-15-23(26-25-18(20)2)28-12-10-27(11-13-28)22-5-3-4-21(24)16-22/h3-9,15-16H,10-14H2,1-2H3
InChIKey
HCVBGBCNPHEIRF-UHFFFAOYSA-N
Compound name
6-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-4-[(4-methylphenyl)methyl]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.1768 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.18408 199.7
[M+Na]+ 415.16602 207.0
[M-H]- 391.16952 205.5
[M+NH4]+ 410.21062 205.5
[M+K]+ 431.13996 197.5
[M+H-H2O]+ 375.17406 185.3
[M+HCOO]- 437.17500 208.5
[M+CH3COO]- 451.19065 206.8
[M+Na-2H]- 413.15147 200.1
[M]+ 392.17625 197.8
[M]- 392.17735 197.8
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.