CID 456776

4-(benzenesulfonamido)-n-(isopropylideneamino)benzamide

Structural Information

Molecular Formula
C16H17N3O3S
SMILES
CC(=NNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2)C
InChI
InChI=1S/C16H17N3O3S/c1-12(2)17-18-16(20)13-8-10-14(11-9-13)19-23(21,22)15-6-4-3-5-7-15/h3-11,19H,1-2H3,(H,18,20)
InChIKey
KREKPWORYPIWQU-UHFFFAOYSA-N
Compound name
4-(benzenesulfonamido)-N-(propan-2-ylideneamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.09906 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.10634 175.2
[M+Na]+ 354.08828 180.2
[M-H]- 330.09178 182.8
[M+NH4]+ 349.13288 188.5
[M+K]+ 370.06222 176.4
[M+H-H2O]+ 314.09632 166.4
[M+HCOO]- 376.09726 195.7
[M+CH3COO]- 390.11291 214.2
[M+Na-2H]- 352.07373 179.5
[M]+ 331.09851 176.6
[M]- 331.09961 176.6
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.