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 209.5
[M+Na]+ 469.23222 219.9
[M-H]- 445.23572 222.7
[M+NH4]+ 464.27682 218.0
[M+K]+ 485.20616 214.7
[M+H-H2O]+ 429.24026 197.5
[M+HCOO]- 491.24120 233.7
[M+CH3COO]- 505.25685 245.2
[M+Na-2H]- 467.21767 206.0
[M]+ 446.24245 217.8
[M]- 446.24355 217.8
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.