CID 11493665

Fenpyrazamine

Structural Information

Molecular Formula
C17H21N3O2S
SMILES
CC1=CC=CC=C1C2=C(N(N(C2=O)C(C)C)C(=O)SCC=C)N
InChI
InChI=1S/C17H21N3O2S/c1-5-10-23-17(22)20-15(18)14(16(21)19(20)11(2)3)13-9-7-6-8-12(13)4/h5-9,11H,1,10,18H2,2-4H3
InChIKey
UTOHZQYBSYOOGC-UHFFFAOYSA-N
Compound name
S-prop-2-enyl 5-amino-4-(2-methylphenyl)-3-oxo-2-propan-2-ylpyrazole-1-carbothioate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

8170
Patents

331.13544 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.14272 179.1
[M+Na]+ 354.12466 188.5
[M-H]- 330.12816 184.0
[M+NH4]+ 349.16926 193.1
[M+K]+ 370.09860 182.8
[M+H-H2O]+ 314.13270 171.4
[M+HCOO]- 376.13364 194.8
[M+CH3COO]- 390.14929 212.3
[M+Na-2H]- 352.11011 174.1
[M]+ 331.13489 183.1
[M]- 331.13599 183.1
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.