CID 515988

Chembl94387

Structural Information

Molecular Formula
C23H28N2O2
SMILES
CC1=CC(=CC(=C1OCCCC2=CC(=NO2)C)C)C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C23H28N2O2/c1-16-13-20(19-8-10-21(11-9-19)25(4)5)14-17(2)23(16)26-12-6-7-22-15-18(3)24-27-22/h8-11,13-15H,6-7,12H2,1-5H3
InChIKey
USAFZFPFFJBHGT-UHFFFAOYSA-N
Compound name
4-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.2151 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.22238 192.5
[M+Na]+ 387.20432 200.2
[M-H]- 363.20782 203.5
[M+NH4]+ 382.24892 204.9
[M+K]+ 403.17826 197.1
[M+H-H2O]+ 347.21236 182.6
[M+HCOO]- 409.21330 215.6
[M+CH3COO]- 423.22895 225.3
[M+Na-2H]- 385.18977 192.1
[M]+ 364.21455 199.3
[M]- 364.21565 199.3
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.