CID 601948

64830-89-3

Structural Information

Molecular Formula
C16H18N2O2S
SMILES
COC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)OC)SC
InChI
InChI=1S/C16H18N2O2S/c1-19-14-8-4-12(5-9-14)17-16(21-3)18-13-6-10-15(20-2)11-7-13/h4-11H,1-3H3,(H,17,18)
InChIKey
JOMSSNQFOQDFPA-UHFFFAOYSA-N
Compound name
methyl N,N'-bis(4-methoxyphenyl)carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1089 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11618 169.6
[M+Na]+ 325.09812 176.1
[M-H]- 301.10162 177.6
[M+NH4]+ 320.14272 185.3
[M+K]+ 341.07206 172.4
[M+H-H2O]+ 285.10616 160.9
[M+HCOO]- 347.10710 191.2
[M+CH3COO]- 361.12275 208.4
[M+Na-2H]- 323.08357 172.6
[M]+ 302.10835 173.9
[M]- 302.10945 173.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.