CID 3060829

78311-70-3

Structural Information

Molecular Formula
C21H22N8O2S2
SMILES
CN(C)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)S(=O)(=O)N(CCC3=NNN=N3)C4=NC=CS4
InChI
InChI=1S/C21H22N8O2S2/c1-28(2)18-7-3-16(4-8-18)15-23-17-5-9-19(10-6-17)33(30,31)29(21-22-12-14-32-21)13-11-20-24-26-27-25-20/h3-10,12,14-15H,11,13H2,1-2H3,(H,24,25,26,27)
InChIKey
DWPAIOHKWLDMDO-UHFFFAOYSA-N
Compound name
4-[[4-(dimethylamino)phenyl]methylideneamino]-N-[2-(2H-tetrazol-5-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.1307 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.13798 208.2
[M+Na]+ 505.11992 216.9
[M-H]- 481.12342 219.0
[M+NH4]+ 500.16452 213.9
[M+K]+ 521.09386 210.5
[M+H-H2O]+ 465.12796 198.4
[M+HCOO]- 527.12890 223.0
[M+CH3COO]- 541.14455 216.7
[M+Na-2H]- 503.10537 210.8
[M]+ 482.13015 214.6
[M]- 482.13125 214.6
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.