CID 393960

Nsc697032

Structural Information

Molecular Formula
C18H16N4O4S
SMILES
CC1=C(C2=C(C(=C1C#N)N)C(=O)N(C2=O)CC3=CC=C(C=C3)S(=O)(=O)N)C
InChI
InChI=1S/C18H16N4O4S/c1-9-10(2)14-15(16(20)13(9)7-19)18(24)22(17(14)23)8-11-3-5-12(6-4-11)27(21,25)26/h3-6H,8,20H2,1-2H3,(H2,21,25,26)
InChIKey
ZTMVDRLFXGUJLE-UHFFFAOYSA-N
Compound name
4-[(4-amino-5-cyano-6,7-dimethyl-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.08923 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.09651 202.2
[M+Na]+ 407.07845 214.4
[M-H]- 383.08195 207.6
[M+NH4]+ 402.12305 213.8
[M+K]+ 423.05239 208.0
[M+H-H2O]+ 367.08649 189.0
[M+HCOO]- 429.08743 214.4
[M+CH3COO]- 443.10308 232.2
[M+Na-2H]- 405.06390 199.4
[M]+ 384.08868 199.8
[M]- 384.08978 199.8
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.