CID 930589

Nsc668503

Structural Information

Molecular Formula
C16H14N4O2S
SMILES
COC1=CC=CC=C1NC(=S)N=NC2=C(NC3=CC=CC=C32)O
InChI
InChI=1S/C16H14N4O2S/c1-22-13-9-5-4-8-12(13)18-16(23)20-19-14-10-6-2-3-7-11(10)17-15(14)21/h2-9,17,21H,1H3,(H,18,23)
InChIKey
IEZNDNUPRTZGQQ-UHFFFAOYSA-N
Compound name
1-[(2-hydroxy-1H-indol-3-yl)imino]-3-(2-methoxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

326.08374 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.09102 171.4
[M+Na]+ 349.07296 180.2
[M-H]- 325.07646 178.8
[M+NH4]+ 344.11756 186.9
[M+K]+ 365.04690 174.6
[M+H-H2O]+ 309.08100 163.3
[M+HCOO]- 371.08194 193.6
[M+CH3COO]- 385.09759 183.0
[M+Na-2H]- 347.05841 176.4
[M]+ 326.08319 174.9
[M]- 326.08429 174.9
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.