CID 308248

2-amino-4-methyl-5-phenylthiophene-3-carbonitrile

Structural Information

Molecular Formula
C12H10N2S
SMILES
CC1=C(SC(=C1C#N)N)C2=CC=CC=C2
InChI
InChI=1S/C12H10N2S/c1-8-10(7-13)12(14)15-11(8)9-5-3-2-4-6-9/h2-6H,14H2,1H3
InChIKey
ALTJGNDYZQYJSC-UHFFFAOYSA-N
Compound name
2-amino-4-methyl-5-phenylthiophene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4
Patents

214.05647 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.06375 154.7
[M+Na]+ 237.04569 167.1
[M-H]- 213.04919 161.4
[M+NH4]+ 232.09029 173.8
[M+K]+ 253.01963 161.3
[M+H-H2O]+ 197.05373 142.2
[M+HCOO]- 259.05467 172.1
[M+CH3COO]- 273.07032 166.8
[M+Na-2H]- 235.03114 155.1
[M]+ 214.05592 150.6
[M]- 214.05702 150.6
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