CID 212690

Brn 0903515

Structural Information

Molecular Formula
C24H24N6O2
SMILES
CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=NCCN=CC3=C(NN(C3=O)C4=CC=CC=C4)C
InChI
InChI=1S/C24H24N6O2/c1-17-21(23(31)29(27-17)19-9-5-3-6-10-19)15-25-13-14-26-16-22-18(2)28-30(24(22)32)20-11-7-4-8-12-20/h3-12,15-16,27-28H,13-14H2,1-2H3
InChIKey
CTLWQILVZUTUMU-UHFFFAOYSA-N
Compound name
5-methyl-4-[2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]ethyliminomethyl]-2-phenyl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.19608 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.20336 203.6
[M+Na]+ 451.18530 213.2
[M-H]- 427.18880 213.4
[M+NH4]+ 446.22990 211.0
[M+K]+ 467.15924 204.3
[M+H-H2O]+ 411.19334 191.4
[M+HCOO]- 473.19428 227.6
[M+CH3COO]- 487.20993 212.9
[M+Na-2H]- 449.17075 203.3
[M]+ 428.19553 206.7
[M]- 428.19663 206.7
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.