CID 360029

Methaniloxazole

Structural Information

Molecular Formula
C25H22N4O3S
SMILES
CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N=C3C4=CC=CC=C4N(C5=CC=CC=C53)C
InChI
InChI=1S/C25H22N4O3S/c1-16-17(2)27-32-25(16)28-33(30,31)19-14-12-18(13-15-19)26-24-20-8-4-6-10-22(20)29(3)23-11-7-5-9-21(23)24/h4-15,28H,1-3H3
InChIKey
GPFAFRIMACOZGW-UHFFFAOYSA-N
Compound name
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(10-methylacridin-9-ylidene)amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.14127 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.14855 212.4
[M+Na]+ 481.13049 224.2
[M-H]- 457.13399 224.8
[M+NH4]+ 476.17509 221.7
[M+K]+ 497.10443 218.1
[M+H-H2O]+ 441.13853 202.4
[M+HCOO]- 503.13947 230.3
[M+CH3COO]- 517.15512 222.6
[M+Na-2H]- 479.11594 217.9
[M]+ 458.14072 220.4
[M]- 458.14182 220.4
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.