CID 3077097

Acetic acid, ((1-phenyl-1h-tetrazol-5-yl)thio)-, 2-((phenylamino)carbonyl)hydrazide

Structural Information

Molecular Formula
C16H15N7O2S
SMILES
C1=CC=C(C=C1)NC(=O)NNC(=O)CSC2=NN=NN2C3=CC=CC=C3
InChI
InChI=1S/C16H15N7O2S/c24-14(18-19-15(25)17-12-7-3-1-4-8-12)11-26-16-20-21-22-23(16)13-9-5-2-6-10-13/h1-10H,11H2,(H,18,24)(H2,17,19,25)
InChIKey
NRPKJACBTWXZEH-UHFFFAOYSA-N
Compound name
1-phenyl-3-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.1008 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.10808 179.1
[M+Na]+ 392.09002 189.1
[M+NH4]+ 387.13462 183.7
[M+K]+ 408.06396 184.2
[M-H]- 368.09352 182.8
[M+Na-2H]- 390.07547 187.7
[M]+ 369.10025 181.5
[M]- 369.10135 181.5
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.