CID 1102996

294854-39-0

Structural Information

Molecular Formula
C22H19N3O2
SMILES
CC1=CC(=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C4=CC=CC=C4C1=O
InChI
InChI=1S/C22H19N3O2/c1-14-13-19(17-11-7-8-12-18(17)21(14)26)23-20-15(2)24(3)25(22(20)27)16-9-5-4-6-10-16/h4-13H,1-3H3
InChIKey
FCVCYXFFXXFOJA-UHFFFAOYSA-N
Compound name
1,5-dimethyl-4-[(3-methyl-4-oxonaphthalen-1-ylidene)amino]-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

357.14774 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.155016 187.1
[M+Na]+ 380.136958 198.3
[M-H]- 356.140464 197.8
[M+NH4]+ 375.181563 200.8
[M+K]+ 396.110898 191.5
[M+H-H2O]+ 340.145000 176.6
[M+HCOO]- 402.145941 209.7
[M+CH3COO]- 416.161591 198.8
[M+Na-2H]- 378.122406 188.1
[M]+ 357.14719142 189.8
[M]- 357.14828858 189.8
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

No patent data available for this compound.