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 188.9
[M+Na]+ 407.08812 203.3
[M+NH4]+ 402.13272 195.4
[M+K]+ 423.06206 197.2
[M-H]- 383.09162 194.6
[M+Na-2H]- 405.07357 198.3
[M]+ 384.09835 192.7
[M]- 384.09945 192.7
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.