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]+ 358.15502 187.1
[M+Na]+ 380.13696 198.3
[M-H]- 356.14046 197.8
[M+NH4]+ 375.18156 200.8
[M+K]+ 396.11090 191.5
[M+H-H2O]+ 340.14500 176.6
[M+HCOO]- 402.14594 209.7
[M+CH3COO]- 416.16159 198.8
[M+Na-2H]- 378.12241 188.1
[M]+ 357.14719 189.8
[M]- 357.14829 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.