CID 378377

Nsc660676

Structural Information

Molecular Formula
C25H30N4O2
SMILES
CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)NN=C4CCCCC4
InChI
InChI=1S/C25H30N4O2/c1-2-3-19-25(27-26-20-13-7-4-8-14-20)23(30)28(21-15-9-5-10-16-21)29(24(25)31)22-17-11-6-12-18-22/h5-6,9-12,15-18,27H,2-4,7-8,13-14,19H2,1H3
InChIKey
APBRIQOGDHBPMH-UHFFFAOYSA-N
Compound name
4-butyl-4-(2-cyclohexylidenehydrazinyl)-1,2-diphenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.23688 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.24416 202.2
[M+Na]+ 441.22610 205.2
[M-H]- 417.22960 212.0
[M+NH4]+ 436.27070 212.3
[M+K]+ 457.20004 199.0
[M+H-H2O]+ 401.23414 189.6
[M+HCOO]- 463.23508 220.8
[M+CH3COO]- 477.25073 231.4
[M+Na-2H]- 439.21155 201.4
[M]+ 418.23633 197.3
[M]- 418.23743 197.3
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.