CID 9571274

Nsc637081

Structural Information

Molecular Formula
C17H15N3O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C/CN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H15N3O4S/c1-12-6-8-13(9-7-12)25(23,24)19-18-10-11-20-16(21)14-4-2-3-5-15(14)17(20)22/h2-10,19H,11H2,1H3/b18-10+
InChIKey
ZLSGCFQBYIRYRZ-VCHYOVAHSA-N
Compound name
N-[(E)-2-(1,3-dioxoisoindol-2-yl)ethylideneamino]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.07834 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.08562 181.2
[M+Na]+ 380.06756 190.4
[M-H]- 356.07106 189.5
[M+NH4]+ 375.11216 196.1
[M+K]+ 396.04150 185.4
[M+H-H2O]+ 340.07560 173.6
[M+HCOO]- 402.07654 200.9
[M+CH3COO]- 416.09219 216.7
[M+Na-2H]- 378.05301 185.1
[M]+ 357.07779 186.0
[M]- 357.07889 186.0
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.