CID 47003119

2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline

Structural Information

Molecular Formula
C10H11N3S2
SMILES
CC1=C(C=CC(=C1)SC2=NN=C(S2)C)N
InChI
InChI=1S/C10H11N3S2/c1-6-5-8(3-4-9(6)11)15-10-13-12-7(2)14-10/h3-5H,11H2,1-2H3
InChIKey
UYUYJANOKTWTKB-UHFFFAOYSA-N
Compound name
2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.03944 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.04672 147.1
[M+Na]+ 260.02866 158.6
[M-H]- 236.03216 151.9
[M+NH4]+ 255.07326 165.2
[M+K]+ 276.00260 152.7
[M+H-H2O]+ 220.03670 140.5
[M+HCOO]- 282.03764 160.9
[M+CH3COO]- 296.05329 160.0
[M+Na-2H]- 258.01411 146.8
[M]+ 237.03889 149.5
[M]- 237.03999 149.5
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.