CID 135548208

172701-65-4

Structural Information

Molecular Formula
C19H16Cl2N6O3
SMILES
COC1=C(N(N=C1C(=O)NNC(=O)CCl)C2=CC(=CC=C2)Cl)N=NC3=CC=CC=C3
InChI
InChI=1S/C19H16Cl2N6O3/c1-30-17-16(19(29)25-23-15(28)11-20)26-27(14-9-5-6-12(21)10-14)18(17)24-22-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,23,28)(H,25,29)
InChIKey
BNKVKIACVHAQKH-UHFFFAOYSA-N
Compound name
N'-(2-chloroacetyl)-1-(3-chlorophenyl)-4-methoxy-5-phenyldiazenylpyrazole-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.0661 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.07338 203.3
[M+Na]+ 469.05532 210.7
[M-H]- 445.05882 213.0
[M+NH4]+ 464.09992 212.7
[M+K]+ 485.02926 205.5
[M+H-H2O]+ 429.06336 192.5
[M+HCOO]- 491.06430 221.8
[M+CH3COO]- 505.07995 238.0
[M+Na-2H]- 467.04077 205.4
[M]+ 446.06555 210.1
[M]- 446.06665 210.1
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.