CID 2177065

Ou749

Structural Information

Molecular Formula
C16H15N3O3S2
SMILES
COC1=CC=C(C=C1)CC2=NN=C(S2)NS(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C16H15N3O3S2/c1-22-13-9-7-12(8-10-13)11-15-17-18-16(23-15)19-24(20,21)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,18,19)
InChIKey
QCXWBMZVLJCKHF-UHFFFAOYSA-N
Compound name
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

13
Patents

361.05548 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.06276 178.9
[M+Na]+ 384.04470 191.3
[M+NH4]+ 379.08930 185.9
[M+K]+ 400.01864 183.0
[M-H]- 360.04820 183.2
[M+Na-2H]- 382.03015 187.5
[M]+ 361.05493 182.8
[M]- 361.05603 182.8
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