CID 6380585

Nsc633104

Structural Information

Molecular Formula
C24H22ClN3O2
SMILES
CN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)/C=C/C3=CC=C(C=C3)Cl)N4CCCC4
InChI
InChI=1S/C24H22ClN3O2/c1-27-24(30)23(28-15-5-6-16-28)21(22(26-27)18-7-3-2-4-8-18)20(29)14-11-17-9-12-19(25)13-10-17/h2-4,7-14H,5-6,15-16H2,1H3/b14-11+
InChIKey
GUUJTTWRKAEVNS-SDNWHVSQSA-N
Compound name
5-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-methyl-6-phenyl-4-pyrrolidin-1-ylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.14005 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.14733 202.5
[M+Na]+ 442.12927 210.5
[M-H]- 418.13277 211.0
[M+NH4]+ 437.17387 210.4
[M+K]+ 458.10321 201.6
[M+H-H2O]+ 402.13731 190.2
[M+HCOO]- 464.13825 214.8
[M+CH3COO]- 478.15390 210.8
[M+Na-2H]- 440.11472 199.4
[M]+ 419.13950 203.1
[M]- 419.14060 203.1
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.