CID 16637117

893726-79-9

Structural Information

Molecular Formula
C15H14N4OS3
SMILES
C1=CC=C2C(=C1)C=CC=C2CSC3=NN=C(S3)SCC(=O)NN
InChI
InChI=1S/C15H14N4OS3/c16-17-13(20)9-22-15-19-18-14(23-15)21-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9,16H2,(H,17,20)
InChIKey
WMQQYXXTWQIFLZ-UHFFFAOYSA-N
Compound name
2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.033 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.04028 172.5
[M+Na]+ 385.02222 182.4
[M-H]- 361.02572 176.3
[M+NH4]+ 380.06682 185.5
[M+K]+ 400.99616 173.3
[M+H-H2O]+ 345.03026 166.0
[M+HCOO]- 407.03120 180.7
[M+CH3COO]- 421.04685 182.0
[M+Na-2H]- 383.00767 175.5
[M]+ 362.03245 175.5
[M]- 362.03355 175.5
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.