CID 360040

Benzanilmethoxazole

Structural Information

Molecular Formula
C30H24N4O3S
SMILES
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N=C3C4=CC=CC=C4N(C5=CC=CC=C53)CC6=CC=CC=C6
InChI
InChI=1S/C30H24N4O3S/c1-21-19-29(32-37-21)33-38(35,36)24-17-15-23(16-18-24)31-30-25-11-5-7-13-27(25)34(20-22-9-3-2-4-10-22)28-14-8-6-12-26(28)30/h2-19H,20H2,1H3,(H,32,33)
InChIKey
GDJQQKMRNLEMHK-UHFFFAOYSA-N
Compound name
4-[(10-benzylacridin-9-ylidene)amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.1569 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.16418 225.7
[M+Na]+ 543.14612 235.5
[M-H]- 519.14962 239.9
[M+NH4]+ 538.19072 231.2
[M+K]+ 559.12006 228.5
[M+H-H2O]+ 503.15416 213.9
[M+HCOO]- 565.15510 242.9
[M+CH3COO]- 579.17075 234.1
[M+Na-2H]- 541.13157 231.7
[M]+ 520.15635 231.7
[M]- 520.15745 231.7
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.