CID 3005209

Nsc682880

Structural Information

Molecular Formula
C10H17N5S
SMILES
CNC(=S)/C(=C(\N)/N1CCN(CC1)C)/C#N
InChI
InChI=1S/C10H17N5S/c1-13-10(16)8(7-11)9(12)15-5-3-14(2)4-6-15/h3-6,12H2,1-2H3,(H,13,16)/b9-8+
InChIKey
BMXMHGCHHFOGAT-CMDGGOBGSA-N
Compound name
(E)-3-amino-2-cyano-N-methyl-3-(4-methylpiperazin-1-yl)prop-2-enethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.12047 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.12775 158.2
[M+Na]+ 262.10969 163.2
[M-H]- 238.11319 157.6
[M+NH4]+ 257.15429 170.9
[M+K]+ 278.08363 160.9
[M+H-H2O]+ 222.11773 144.0
[M+HCOO]- 284.11867 166.0
[M+CH3COO]- 298.13432 206.5
[M+Na-2H]- 260.09514 155.9
[M]+ 239.11992 147.3
[M]- 239.12102 147.3
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.