CID 135489813

Nsc680090

Structural Information

Molecular Formula
C18H13N3OS
SMILES
C1=CC=C(C=C1)C\2=NC3=CC=CC=C3/C2=C/C4=C(NC(=S)N4)O
InChI
InChI=1S/C18H13N3OS/c22-17-15(20-18(23)21-17)10-13-12-8-4-5-9-14(12)19-16(13)11-6-2-1-3-7-11/h1-10,22H,(H2,20,21,23)/b13-10-
InChIKey
STSUTNPXPCSUDU-RAXLEYEMSA-N
Compound name
4-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

319.07794 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.08522 173.6
[M+Na]+ 342.06716 185.1
[M-H]- 318.07066 178.5
[M+NH4]+ 337.11176 187.8
[M+K]+ 358.04110 175.6
[M+H-H2O]+ 302.07520 166.8
[M+HCOO]- 364.07614 187.3
[M+CH3COO]- 378.09179 184.2
[M+Na-2H]- 340.05261 172.4
[M]+ 319.07739 172.8
[M]- 319.07849 172.8
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.