CID 119625

27822-88-4

Structural Information

Molecular Formula
C16H23N2O2
SMILES
CC1(COC(=[N+]1C)C=CC2=CC=C(C=C2)N(C)C)CO
InChI
InChI=1S/C16H23N2O2/c1-16(11-19)12-20-15(18(16)4)10-7-13-5-8-14(9-6-13)17(2)3/h5-10,19H,11-12H2,1-4H3/q+1
InChIKey
BCRUJJONQDOQQG-UHFFFAOYSA-N
Compound name
[2-[2-[4-(dimethylamino)phenyl]ethenyl]-3,4-dimethyl-5H-1,3-oxazol-3-ium-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.17596 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.18324 165.9
[M+Na]+ 298.16518 173.2
[M-H]- 274.16868 172.5
[M+NH4]+ 293.20978 183.0
[M+K]+ 314.13912 165.8
[M+H-H2O]+ 258.17322 161.6
[M+HCOO]- 320.17416 187.1
[M+CH3COO]- 334.18981 195.2
[M+Na-2H]- 296.15063 171.1
[M]+ 275.17541 167.0
[M]- 275.17651 167.0
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.