CID 3065476

Brn 5984882

Structural Information

Molecular Formula
C16H19ClN2O4
SMILES
CCOC1=C(C=C(C=C1OC)C(=O)N2C(=C(C(=N2)C)Cl)C)OC
InChI
InChI=1S/C16H19ClN2O4/c1-6-23-15-12(21-4)7-11(8-13(15)22-5)16(20)19-10(3)14(17)9(2)18-19/h7-8H,6H2,1-5H3
InChIKey
NMDHWOUXHUVKCM-UHFFFAOYSA-N
Compound name
(4-chloro-3,5-dimethylpyrazol-1-yl)-(4-ethoxy-3,5-dimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.10333 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.11061 174.9
[M+Na]+ 361.09255 186.3
[M-H]- 337.09605 180.3
[M+NH4]+ 356.13715 189.6
[M+K]+ 377.06649 182.5
[M+H-H2O]+ 321.10059 167.4
[M+HCOO]- 383.10153 192.1
[M+CH3COO]- 397.11718 211.6
[M+Na-2H]- 359.07800 173.8
[M]+ 338.10278 185.2
[M]- 338.10388 185.2
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.