CID 360039

Benzaniloxazole

Structural Information

Molecular Formula
C31H26N4O3S
SMILES
CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N=C3C4=CC=CC=C4N(C5=CC=CC=C53)CC6=CC=CC=C6
InChI
InChI=1S/C31H26N4O3S/c1-21-22(2)33-38-31(21)34-39(36,37)25-18-16-24(17-19-25)32-30-26-12-6-8-14-28(26)35(20-23-10-4-3-5-11-23)29-15-9-7-13-27(29)30/h3-19,34H,20H2,1-2H3
InChIKey
LKRFMOYUXCOCJG-UHFFFAOYSA-N
Compound name
4-[(10-benzylacridin-9-ylidene)amino]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

534.17255 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.17983 231.6
[M+Na]+ 557.16177 241.7
[M-H]- 533.16527 246.0
[M+NH4]+ 552.20637 236.8
[M+K]+ 573.13571 234.6
[M+H-H2O]+ 517.16981 219.7
[M+HCOO]- 579.17075 248.3
[M+CH3COO]- 593.18640 239.8
[M+Na-2H]- 555.14722 236.4
[M]+ 534.17200 238.3
[M]- 534.17310 238.3
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.