CID 1872420

88046-01-9

Structural Information

Molecular Formula
C6H10N6S2
SMILES
C1=C(N=C(S1)N=C(N)N)CSC(=N)N
InChI
InChI=1S/C6H10N6S2/c7-4(8)12-6-11-3(2-14-6)1-13-5(9)10/h2H,1H2,(H3,9,10)(H4,7,8,11,12)
InChIKey
QUBHCMPAOWIZMT-UHFFFAOYSA-N
Compound name
[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

230.04083 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04811 143.5
[M+Na]+ 253.03005 149.5
[M-H]- 229.03355 145.4
[M+NH4]+ 248.07465 160.5
[M+K]+ 269.00399 144.8
[M+H-H2O]+ 213.03809 135.3
[M+HCOO]- 275.03903 159.4
[M+CH3COO]- 289.05468 199.2
[M+Na-2H]- 251.01550 143.5
[M]+ 230.04028 139.1
[M]- 230.04138 139.1
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