CID 69935

810-16-2

Structural Information

Molecular Formula
C25H30N6O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CN(C)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C
InChI
InChI=1S/C25H30N6O2/c1-18-22(24(32)30(28(18)5)20-13-9-7-10-14-20)26(3)17-27(4)23-19(2)29(6)31(25(23)33)21-15-11-8-12-16-21/h7-16H,17H2,1-6H3
InChIKey
GEFDLFMKEPTYLA-UHFFFAOYSA-N
Compound name
4-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methyl-methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.243 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.25028 209.0
[M+Na]+ 469.23222 224.1
[M+NH4]+ 464.27682 213.9
[M+K]+ 485.20616 221.2
[M-H]- 445.23572 215.7
[M+Na-2H]- 467.21767 218.3
[M]+ 446.24245 213.0
[M]- 446.24355 213.0
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.