CID 212689

Brn 0902652

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]+ 388.17681 193.3
[M+Na]+ 410.15875 205.5
[M-H]- 386.16225 203.8
[M+NH4]+ 405.20335 203.1
[M+K]+ 426.13269 197.5
[M+H-H2O]+ 370.16679 182.1
[M+HCOO]- 432.16773 216.8
[M+CH3COO]- 446.18338 204.4
[M+Na-2H]- 408.14420 192.2
[M]+ 387.16898 197.7
[M]- 387.17008 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.