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 157.8
[M+Na]+ 276.08895 165.6
[M-H]- 252.09245 158.3
[M+NH4]+ 271.13355 172.2
[M+K]+ 292.06289 163.5
[M+H-H2O]+ 236.09699 142.6
[M+HCOO]- 298.09793 172.5
[M+CH3COO]- 312.11358 206.4
[M+Na-2H]- 274.07440 158.8
[M]+ 253.09918 155.0
[M]- 253.10028 155.0
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.