CID 3038297

Brn 2909652

Structural Information

Molecular Formula
C18H20N4O2S2
SMILES
CSC1=CC=CC(=C1)NC(=O)N/C=C/NC(=O)NC2=CC(=CC=C2)SC
InChI
InChI=1S/C18H20N4O2S2/c1-25-15-7-3-5-13(11-15)21-17(23)19-9-10-20-18(24)22-14-6-4-8-16(12-14)26-2/h3-12H,1-2H3,(H2,19,21,23)(H2,20,22,24)/b10-9+
InChIKey
MARJNZAHBYICJS-MDZDMXLPSA-N
Compound name
1-(3-methylsulfanylphenyl)-3-[(E)-2-[(3-methylsulfanylphenyl)carbamoylamino]ethenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.10278 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.11006 186.1
[M+Na]+ 411.09200 193.7
[M+NH4]+ 406.13660 192.1
[M+K]+ 427.06594 184.1
[M-H]- 387.09550 190.8
[M+Na-2H]- 409.07745 192.4
[M]+ 388.10223 189.0
[M]- 388.10333 189.0
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.