CID 227310

Nsc18802

Structural Information

Molecular Formula
C18H22N4O2S
SMILES
C1=CC=C(C=C1)NNC(=O)CCSCCC(=O)NNC2=CC=CC=C2
InChI
InChI=1S/C18H22N4O2S/c23-17(21-19-15-7-3-1-4-8-15)11-13-25-14-12-18(24)22-20-16-9-5-2-6-10-16/h1-10,19-20H,11-14H2,(H,21,23)(H,22,24)
InChIKey
SBJHKDJVSBLHAE-UHFFFAOYSA-N
Compound name
3-[3-oxo-3-(2-phenylhydrazinyl)propyl]sulfanyl-N'-phenylpropanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.14636 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.15364 180.4
[M+Na]+ 381.13558 181.7
[M-H]- 357.13908 185.4
[M+NH4]+ 376.18018 191.3
[M+K]+ 397.10952 176.7
[M+H-H2O]+ 341.14362 170.5
[M+HCOO]- 403.14456 200.8
[M+CH3COO]- 417.16021 220.8
[M+Na-2H]- 379.12103 184.1
[M]+ 358.14581 180.0
[M]- 358.14691 180.0
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.