CID 59625

4,4'-azodiantipyrine

Structural Information

Molecular Formula
C22H22N6O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C
InChI
InChI=1S/C22H22N6O2/c1-15-19(21(29)27(25(15)3)17-11-7-5-8-12-17)23-24-20-16(2)26(4)28(22(20)30)18-13-9-6-10-14-18/h5-14H,1-4H3
InChIKey
WMMDIPCXCNCWKI-UHFFFAOYSA-N
Compound name
4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-1,5-dimethyl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.18042 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.18770 197.4
[M+Na]+ 425.16964 210.3
[M-H]- 401.17314 210.8
[M+NH4]+ 420.21424 207.8
[M+K]+ 441.14358 203.8
[M+H-H2O]+ 385.17768 185.4
[M+HCOO]- 447.17862 224.7
[M+CH3COO]- 461.19427 209.4
[M+Na-2H]- 423.15509 197.1
[M]+ 402.17987 205.0
[M]- 402.18097 205.0
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.