CID 6917216

N~2~-[(thiophen-2-yl)methyl]-1,3,4-thiadiazole-2,5-diamine

Structural Information

Molecular Formula
C7H8N4S2
SMILES
C1=CSC(=C1)CNC2=NN=C(S2)N
InChI
InChI=1S/C7H8N4S2/c8-6-10-11-7(13-6)9-4-5-2-1-3-12-5/h1-3H,4H2,(H2,8,10)(H,9,11)
InChIKey
KYOKGDLJKFUPBK-UHFFFAOYSA-N
Compound name
2-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

212.01904 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.02632 138.0
[M+Na]+ 235.00826 149.6
[M-H]- 211.01176 143.4
[M+NH4]+ 230.05286 158.3
[M+K]+ 250.98220 145.0
[M+H-H2O]+ 195.01630 131.5
[M+HCOO]- 257.01724 156.1
[M+CH3COO]- 271.03289 151.8
[M+Na-2H]- 232.99371 139.7
[M]+ 212.01849 140.4
[M]- 212.01959 140.4
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