CID 613502

75565-12-7

Structural Information

Molecular Formula
C10H11N3OS
SMILES
COC1=CC=C(C=C1)N=C(NC#N)SC
InChI
InChI=1S/C10H11N3OS/c1-14-9-5-3-8(4-6-9)13-10(15-2)12-7-11/h3-6H,1-2H3,(H,12,13)
InChIKey
WQFVSTRGXWJJLY-UHFFFAOYSA-N
Compound name
methyl N-cyano-N'-(4-methoxyphenyl)carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.06229 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.06957 147.5
[M+Na]+ 244.05151 157.5
[M+NH4]+ 239.09611 152.3
[M+K]+ 260.02545 146.8
[M-H]- 220.05501 143.4
[M+Na-2H]- 242.03696 151.2
[M]+ 221.06174 147.2
[M]- 221.06284 147.2
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.