CID 135429987

Nsc621788

Structural Information

Molecular Formula
C15H15N5O2S
SMILES
COC1=CC(=CC(=C1O)/C=N/NC(=S)N)N=NC2=CC=CC=C2
InChI
InChI=1S/C15H15N5O2S/c1-22-13-8-12(19-18-11-5-3-2-4-6-11)7-10(14(13)21)9-17-20-15(16)23/h2-9,21H,1H3,(H3,16,20,23)/b17-9+,19-18?
InChIKey
FCDHQZSWFCHEOA-WHNVYWEUSA-N
Compound name
[(E)-(2-hydroxy-3-methoxy-5-phenyldiazenylphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.09464 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.10192 173.4
[M+Na]+ 352.08386 179.4
[M-H]- 328.08736 182.3
[M+NH4]+ 347.12846 187.2
[M+K]+ 368.05780 175.2
[M+H-H2O]+ 312.09190 163.5
[M+HCOO]- 374.09284 199.1
[M+CH3COO]- 388.10849 222.7
[M+Na-2H]- 350.06931 177.6
[M]+ 329.09409 174.9
[M]- 329.09519 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.