CID 3075147

172701-50-7

Structural Information

Molecular Formula
C19H17ClN4O3
SMILES
CCOC(=O)C1=NN(C(=C1OC)N=NC2=CC=CC=C2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C19H17ClN4O3/c1-3-27-19(25)16-17(26-2)18(22-21-14-9-5-4-6-10-14)24(23-16)15-11-7-8-13(20)12-15/h4-12H,3H2,1-2H3
InChIKey
DAYRMRXPFNRZEV-UHFFFAOYSA-N
Compound name
ethyl 1-(3-chlorophenyl)-4-methoxy-5-phenyldiazenylpyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.0989 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.10618 189.7
[M+Na]+ 407.08812 198.6
[M-H]- 383.09162 200.1
[M+NH4]+ 402.13272 201.8
[M+K]+ 423.06206 194.0
[M+H-H2O]+ 367.09616 178.7
[M+HCOO]- 429.09710 212.0
[M+CH3COO]- 443.11275 225.2
[M+Na-2H]- 405.07357 192.2
[M]+ 384.09835 197.7
[M]- 384.09945 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.