CID 2049413

214542-51-5

Structural Information

Molecular Formula
C11H10ClN3S
SMILES
C1C2=C(N(N=C2CS1)C3=CC(=CC=C3)Cl)N
InChI
InChI=1S/C11H10ClN3S/c12-7-2-1-3-8(4-7)15-11(13)9-5-16-6-10(9)14-15/h1-4H,5-6,13H2
InChIKey
ZOHAFLZSDSYPAF-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.0284 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.03568 153.9
[M+Na]+ 274.01762 165.7
[M-H]- 250.02112 159.7
[M+NH4]+ 269.06222 174.6
[M+K]+ 289.99156 159.9
[M+H-H2O]+ 234.02566 147.9
[M+HCOO]- 296.02660 167.6
[M+CH3COO]- 310.04225 167.0
[M+Na-2H]- 272.00307 153.9
[M]+ 251.02785 156.3
[M]- 251.02895 156.3
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.