CID 3077099

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

Structural Information

Molecular Formula
C16H15N7OS2
SMILES
C1=CC=C(C=C1)NC(=S)NNC(=O)CSC2=NN=NN2C3=CC=CC=C3
InChI
InChI=1S/C16H15N7OS2/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
OHHPJYUCHORKST-UHFFFAOYSA-N
Compound name
1-phenyl-3-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.07794 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.08522 180.5
[M+Na]+ 408.06716 187.4
[M-H]- 384.07066 185.3
[M+NH4]+ 403.11176 188.4
[M+K]+ 424.04110 179.6
[M+H-H2O]+ 368.07520 171.0
[M+HCOO]- 430.07614 192.8
[M+CH3COO]- 444.09179 188.7
[M+Na-2H]- 406.05261 183.7
[M]+ 385.07739 180.8
[M]- 385.07849 180.8
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

patents stripe