CID 3792980

Akos002055069

Structural Information

Molecular Formula
C20H15ClN2O4S
SMILES
C1=CC=C(C=C1)CNC2=C(N=C(O2)C3=CC=CO3)S(=O)(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H15ClN2O4S/c21-15-8-10-16(11-9-15)28(24,25)20-19(22-13-14-5-2-1-3-6-14)27-18(23-20)17-7-4-12-26-17/h1-12,22H,13H2
InChIKey
UHBHPVOUSZECBD-UHFFFAOYSA-N
Compound name
N-benzyl-4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

414.0441 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.05138 196.8
[M+Na]+ 437.03332 208.2
[M-H]- 413.03682 211.8
[M+NH4]+ 432.07792 207.9
[M+K]+ 453.00726 204.1
[M+H-H2O]+ 397.04136 190.0
[M+HCOO]- 459.04230 213.1
[M+CH3COO]- 473.05795 208.8
[M+Na-2H]- 435.01877 199.0
[M]+ 414.04355 206.3
[M]- 414.04465 206.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.