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

10877
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

literature stripe

Patent stripe

patents stripe