CID 302482

Nsc187540

Structural Information

Molecular Formula
C17H20N2O3S2
SMILES
C1=CC=C(C=C1)C(CN=C(CCSS(=O)(=O)O)N)C2=CC=CC=C2
InChI
InChI=1S/C17H20N2O3S2/c18-17(11-12-23-24(20,21)22)19-13-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H2,18,19)(H,20,21,22)
InChIKey
ALVZHZWLMZVWIT-UHFFFAOYSA-N
Compound name
[2-[(1-amino-3-sulfosulfanylpropylidene)amino]-1-phenylethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.09152 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.09880 182.7
[M+Na]+ 387.08074 186.4
[M-H]- 363.08424 187.1
[M+NH4]+ 382.12534 193.9
[M+K]+ 403.05468 179.9
[M+H-H2O]+ 347.08878 174.3
[M+HCOO]- 409.08972 194.0
[M+CH3COO]- 423.10537 213.4
[M+Na-2H]- 385.06619 184.2
[M]+ 364.09097 183.4
[M]- 364.09207 183.4
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.