CID 316036

Nsc243480

Structural Information

Molecular Formula
C20H17N5O2
SMILES
CC1=C(C(=O)N(N1)C2=CC=CC=C2)N=C3C(=NN(C3=O)C4=CC=CC=C4)C
InChI
InChI=1S/C20H17N5O2/c1-13-17(19(26)24(22-13)15-9-5-3-6-10-15)21-18-14(2)23-25(20(18)27)16-11-7-4-8-12-16/h3-12,22H,1-2H3
InChIKey
OLLFTYUNLALDOS-UHFFFAOYSA-N
Compound name
5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)imino]-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.1382 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.14548 185.2
[M+Na]+ 382.12742 195.5
[M-H]- 358.13092 194.8
[M+NH4]+ 377.17202 195.6
[M+K]+ 398.10136 188.3
[M+H-H2O]+ 342.13546 174.0
[M+HCOO]- 404.13640 206.7
[M+CH3COO]- 418.15205 195.8
[M+Na-2H]- 380.11287 184.0
[M]+ 359.13765 185.7
[M]- 359.13875 185.7
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.