CID 3075146

172701-49-4

Structural Information

Molecular Formula
C21H22ClN5O3
SMILES
CCOC(=O)C1=NN(C(=C1OC)N=NC2=CC=C(C=C2)N(C)C)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C21H22ClN5O3/c1-5-30-21(28)18-19(29-4)20(27(25-18)17-8-6-7-14(22)13-17)24-23-15-9-11-16(12-10-15)26(2)3/h6-13H,5H2,1-4H3
InChIKey
UYGBPMKFNDFYFL-UHFFFAOYSA-N
Compound name
ethyl 1-(3-chlorophenyl)-5-[[4-(dimethylamino)phenyl]diazenyl]-4-methoxypyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.1411 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.14838 203.0
[M+Na]+ 450.13032 211.1
[M-H]- 426.13382 214.9
[M+NH4]+ 445.17492 213.9
[M+K]+ 466.10426 207.6
[M+H-H2O]+ 410.13836 191.5
[M+HCOO]- 472.13930 226.2
[M+CH3COO]- 486.15495 240.5
[M+Na-2H]- 448.11577 203.8
[M]+ 427.14055 212.8
[M]- 427.14165 212.8
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.