CID 135398515

307543-71-1

Structural Information

Molecular Formula
C15H11NO3S2
SMILES
C1=CC=C2C(=C1)C=CC(=C2/C=N/S(=O)(=O)C3=CC=CS3)O
InChI
InChI=1S/C15H11NO3S2/c17-14-8-7-11-4-1-2-5-12(11)13(14)10-16-21(18,19)15-6-3-9-20-15/h1-10,17H/b16-10+
InChIKey
TVIVJHZHPKNDAQ-MHWRWJLKSA-N
Compound name
(NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]thiophene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

52
References

183
Patents

317.01804 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.02532 168.5
[M+Na]+ 340.00726 181.4
[M+NH4]+ 335.05186 177.1
[M+K]+ 355.98120 172.2
[M-H]- 316.01076 172.7
[M+Na-2H]- 337.99271 176.3
[M]+ 317.01749 172.5
[M]- 317.01859 172.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe