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 153.4
[M+Na]+ 244.05151 162.3
[M-H]- 220.05501 158.3
[M+NH4]+ 239.09611 170.6
[M+K]+ 260.02545 160.0
[M+H-H2O]+ 204.05955 140.0
[M+HCOO]- 266.06049 171.3
[M+CH3COO]- 280.07614 203.9
[M+Na-2H]- 242.03696 156.5
[M]+ 221.06174 150.9
[M]- 221.06284 150.9
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.