CID 5747613

172701-54-1

Structural Information

Molecular Formula
C17H14ClN7O4
SMILES
COC1=C(N(N=C1C(=O)NN)C2=CC(=CC=C2)Cl)N=NC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H14ClN7O4/c1-29-15-14(17(26)20-19)23-24(13-4-2-3-10(18)9-13)16(15)22-21-11-5-7-12(8-6-11)25(27)28/h2-9H,19H2,1H3,(H,20,26)
InChIKey
JWDXKVGBSHHFBE-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-4-methoxy-5-[(4-nitrophenyl)diazenyl]pyrazole-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.0796 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.08688 192.7
[M+Na]+ 438.06882 198.5
[M-H]- 414.07232 202.8
[M+NH4]+ 433.11342 201.3
[M+K]+ 454.04276 190.6
[M+H-H2O]+ 398.07686 186.1
[M+HCOO]- 460.07780 217.5
[M+CH3COO]- 474.09345 229.1
[M+Na-2H]- 436.05427 198.6
[M]+ 415.07905 194.9
[M]- 415.08015 194.9
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.