CID 38125

38911-95-4

Structural Information

Molecular Formula
C19H19N7OS
SMILES
C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN)CCC3=NC4=CC=CC=C4N3
InChI
InChI=1S/C19H19N7OS/c20-23-18(27)12-28-19-25-24-17(26(19)13-6-2-1-3-7-13)11-10-16-21-14-8-4-5-9-15(14)22-16/h1-9H,10-12,20H2,(H,21,22)(H,23,27)
InChIKey
MCZGLCZEVMRFAP-UHFFFAOYSA-N
Compound name
2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.13718 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.14446 187.2
[M+Na]+ 416.12640 199.3
[M+NH4]+ 411.17100 192.6
[M+K]+ 432.10034 194.9
[M-H]- 392.12990 190.8
[M+Na-2H]- 414.11185 194.6
[M]+ 393.13663 190.1
[M]- 393.13773 190.1
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.