CID 355333

Nsc608694

Structural Information

Molecular Formula
C21H20N2OS
SMILES
CC1=CC(=CC=C1)N2C(C3=C(C=C(C=C3)C)NS2=O)C4=CC=CC=C4
InChI
InChI=1S/C21H20N2OS/c1-15-7-6-10-18(13-15)23-21(17-8-4-3-5-9-17)19-12-11-16(2)14-20(19)22-25(23)24/h3-14,21-22H,1-2H3
InChIKey
SIHHBEUKPBURLF-UHFFFAOYSA-N
Compound name
7-methyl-3-(3-methylphenyl)-4-phenyl-1,4-dihydro-2lambda4,1,3-benzothiadiazine 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.12964 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.13692 182.0
[M+Na]+ 371.11886 191.0
[M-H]- 347.12236 188.6
[M+NH4]+ 366.16346 193.4
[M+K]+ 387.09280 182.5
[M+H-H2O]+ 331.12690 172.2
[M+HCOO]- 393.12784 193.5
[M+CH3COO]- 407.14349 191.4
[M+Na-2H]- 369.10431 183.5
[M]+ 348.12909 180.8
[M]- 348.13019 180.8
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.