CID 9561097

5448-85-1

Structural Information

Molecular Formula
C15H18N4O2S
SMILES
CN(C)C1=CC=C(C=C1)/C=N/NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C15H18N4O2S/c1-19(2)14-7-3-12(4-8-14)11-17-18-22(20,21)15-9-5-13(16)6-10-15/h3-11,18H,16H2,1-2H3/b17-11+
InChIKey
BBUGGGJQFCNGAA-GZTJUZNOSA-N
Compound name
4-amino-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.11505 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.12233 171.7
[M+Na]+ 341.10427 177.9
[M-H]- 317.10777 180.6
[M+NH4]+ 336.14887 186.1
[M+K]+ 357.07821 174.1
[M+H-H2O]+ 301.11231 162.6
[M+HCOO]- 363.11325 195.0
[M+CH3COO]- 377.12890 217.9
[M+Na-2H]- 339.08972 176.7
[M]+ 318.11450 173.2
[M]- 318.11560 173.2
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.