CID 135499980

186453-54-3

Structural Information

Molecular Formula
C15H14N4O3S
SMILES
C1=CC=C(C(=C1)/C=N/NC(=S)NCC2=CC=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C15H14N4O3S/c20-14-4-2-1-3-12(14)10-17-18-15(23)16-9-11-5-7-13(8-6-11)19(21)22/h1-8,10,20H,9H2,(H2,16,18,23)/b17-10+
InChIKey
CMCJITFSQCIBHM-LICLKQGHSA-N
Compound name
1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[(4-nitrophenyl)methyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.07867 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.08595 170.2
[M+Na]+ 353.06789 180.8
[M+NH4]+ 348.11249 176.8
[M+K]+ 369.04183 175.4
[M-H]- 329.07139 176.2
[M+Na-2H]- 351.05334 177.7
[M]+ 330.07812 173.4
[M]- 330.07922 173.4
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.