CID 168376974

Oit

Structural Information

Molecular Formula
C20H21Cl2N3O2
SMILES
C1=CC2=C(C=C1C(=O)NCCCCCCN)OC(=N2)C3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C20H21Cl2N3O2/c21-15-9-14(10-16(22)12-15)20-25-17-6-5-13(11-18(17)27-20)19(26)24-8-4-2-1-3-7-23/h5-6,9-12H,1-4,7-8,23H2,(H,24,26)
InChIKey
VYSGGLIOFYGQHG-UHFFFAOYSA-N
Compound name
N-(6-aminohexyl)-2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.10107 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.10835 198.4
[M+Na]+ 428.09029 207.5
[M-H]- 404.09379 204.3
[M+NH4]+ 423.13489 210.3
[M+K]+ 444.06423 200.4
[M+H-H2O]+ 388.09833 190.4
[M+HCOO]- 450.09927 211.5
[M+CH3COO]- 464.11492 224.9
[M+Na-2H]- 426.07574 199.5
[M]+ 405.10052 205.8
[M]- 405.10162 205.8
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.