CID 5478462

Nsc622642

Structural Information

Molecular Formula
C8H15N5S2
SMILES
CN=C1N(/C(=N\C(=NC)N(C)C)/SS1)C
InChI
InChI=1S/C8H15N5S2/c1-9-6(12(3)4)11-8-13(5)7(10-2)14-15-8/h1-5H3/b9-6?,10-7?,11-8+
InChIKey
VGDLVAGCOXXLSI-ZZJFKSRJSA-N
Compound name
(3E)-1,1,2-trimethyl-3-(4-methyl-5-methylimino-1,2,4-dithiazolidin-3-ylidene)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.07689 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.08417 154.0
[M+Na]+ 268.06611 162.7
[M-H]- 244.06961 162.2
[M+NH4]+ 263.11071 174.6
[M+K]+ 284.04005 160.7
[M+H-H2O]+ 228.07415 145.5
[M+HCOO]- 290.07509 174.6
[M+CH3COO]- 304.09074 207.3
[M+Na-2H]- 266.05156 154.8
[M]+ 245.07634 159.0
[M]- 245.07744 159.0
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.