CID 5368726

Nsc354669

Structural Information

Molecular Formula
C14H15N5O2S2
SMILES
C/C(=N\NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N)/C2=CC=CC=N2
InChI
InChI=1S/C14H15N5O2S2/c1-10(13-4-2-3-9-16-13)18-19-14(22)17-11-5-7-12(8-6-11)23(15,20)21/h2-9H,1H3,(H2,15,20,21)(H2,17,19,22)/b18-10+
InChIKey
BCFCPOLFSAERRD-VCHYOVAHSA-N
Compound name
1-[(E)-1-pyridin-2-ylethylideneamino]-3-(4-sulfamoylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.0667 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.07398 176.5
[M+Na]+ 372.05592 181.7
[M-H]- 348.05942 181.6
[M+NH4]+ 367.10052 187.3
[M+K]+ 388.02986 175.0
[M+H-H2O]+ 332.06396 167.4
[M+HCOO]- 394.06490 190.6
[M+CH3COO]- 408.08055 217.0
[M+Na-2H]- 370.04137 180.6
[M]+ 349.06615 175.1
[M]- 349.06725 175.1
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.