CID 212689

(e)-1,5-dimethyl-4-(((3-methyl-5-oxo-1-phenyl-1h-pyrazol-4(5h)-ylidene)methyl)amino)-2-phenyl-1h-pyrazol-3(2h)-one

Structural Information

Molecular Formula
C22H21N5O2
SMILES
CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C
InChI
InChI=1S/C22H21N5O2/c1-15-19(21(28)26(24-15)17-10-6-4-7-11-17)14-23-20-16(2)25(3)27(22(20)29)18-12-8-5-9-13-18/h4-14,24H,1-3H3
InChIKey
VNMZMDMSIXNZSM-UHFFFAOYSA-N
Compound name
1,5-dimethyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

387.16953 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.176806 193.3
[M+Na]+ 410.158748 205.5
[M-H]- 386.162254 203.8
[M+NH4]+ 405.203353 203.1
[M+K]+ 426.132688 197.5
[M+H-H2O]+ 370.166790 182.1
[M+HCOO]- 432.167731 216.8
[M+CH3COO]- 446.183381 204.4
[M+Na-2H]- 408.144196 192.2
[M]+ 387.16898142 197.7
[M]- 387.17007858 197.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.