CID 129318324

138035-55-9

Structural Information

Molecular Formula
C10H15N5OS
SMILES
CC1=C(N=CN1)CSCCN=C(NC#N)OC
InChI
InChI=1S/C10H15N5OS/c1-8-9(15-7-14-8)5-17-4-3-12-10(16-2)13-6-11/h7H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKey
ZYULTRKNQVUZNL-UHFFFAOYSA-N
Compound name
methyl N-cyano-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.09973 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.10701 155.1
[M+Na]+ 276.08895 162.4
[M+NH4]+ 271.13355 157.7
[M+K]+ 292.06289 154.5
[M-H]- 252.09245 148.1
[M+Na-2H]- 274.07440 155.8
[M]+ 253.09918 153.2
[M]- 253.10028 153.2
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.