CID 135423987

172701-66-5

Structural Information

Molecular Formula
C19H15Cl2N7O5
SMILES
COC1=C(N(N=C1C(=O)NNC(=O)CCl)C2=CC(=CC=C2)Cl)N=NC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H15Cl2N7O5/c1-33-17-16(19(30)25-23-15(29)10-20)26-27(14-4-2-3-11(21)9-14)18(17)24-22-12-5-7-13(8-6-12)28(31)32/h2-9H,10H2,1H3,(H,23,29)(H,25,30)
InChIKey
KLVWSTWQPPVJCO-UHFFFAOYSA-N
Compound name
N'-(2-chloroacetyl)-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

491.05118 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.05846 211.7
[M+Na]+ 514.04040 216.2
[M-H]- 490.04390 221.1
[M+NH4]+ 509.08500 217.8
[M+K]+ 530.01434 208.5
[M+H-H2O]+ 474.04844 205.4
[M+HCOO]- 536.04938 230.5
[M+CH3COO]- 550.06503 239.8
[M+Na-2H]- 512.02585 215.7
[M]+ 491.05063 216.8
[M]- 491.05173 216.8
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.