CID 212075

1h-indazol-5-amine, 1-(2-thienylcarbonyl)-

Structural Information

Molecular Formula
C12H9N3OS
SMILES
C1=CSC(=C1)C(=O)N2C3=C(C=C(C=C3)N)C=N2
InChI
InChI=1S/C12H9N3OS/c13-9-3-4-10-8(6-9)7-14-15(10)12(16)11-2-1-5-17-11/h1-7H,13H2
InChIKey
NTDKSOHOKYNTMK-UHFFFAOYSA-N
Compound name
(5-aminoindazol-1-yl)-thiophen-2-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.04663 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.05391 151.6
[M+Na]+ 266.03585 163.4
[M-H]- 242.03935 158.3
[M+NH4]+ 261.08045 171.7
[M+K]+ 282.00979 159.0
[M+H-H2O]+ 226.04389 145.1
[M+HCOO]- 288.04483 172.1
[M+CH3COO]- 302.06048 165.4
[M+Na-2H]- 264.02130 153.5
[M]+ 243.04608 155.1
[M]- 243.04718 155.1
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.