CID 3005211

Nsc683486

Structural Information

Molecular Formula
C11H11N3OS2
SMILES
C1C2C(=NC3=CC=CC=C3C(=S)N2CS1)NO
InChI
InChI=1S/C11H11N3OS2/c15-13-10-9-5-17-6-14(9)11(16)7-3-1-2-4-8(7)12-10/h1-4,9,15H,5-6H2,(H,12,13)
InChIKey
OSHJAKMQOHLUMD-UHFFFAOYSA-N
Compound name
4-(hydroxyamino)-3,3a-dihydro-1H-[1,3]thiazolo[4,3-c][1,4]benzodiazepine-10-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.03436 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.04164 157.1
[M+Na]+ 288.02358 164.6
[M-H]- 264.02708 159.6
[M+NH4]+ 283.06818 173.9
[M+K]+ 303.99752 163.0
[M+H-H2O]+ 248.03162 151.4
[M+HCOO]- 310.03256 165.2
[M+CH3COO]- 324.04821 167.1
[M+Na-2H]- 286.00903 158.6
[M]+ 265.03381 154.1
[M]- 265.03491 154.1
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.