CID 3061434

79213-85-7

Structural Information

Molecular Formula
C18H20N2O
SMILES
CC1(N=C(C(O1)C2=CC=C(C=C2)NC)C3=CC=CC=C3)C
InChI
InChI=1S/C18H20N2O/c1-18(2)20-16(13-7-5-4-6-8-13)17(21-18)14-9-11-15(19-3)12-10-14/h4-12,17,19H,1-3H3
InChIKey
XWTJYOBZVFMXTJ-UHFFFAOYSA-N
Compound name
4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

280.15756 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16484 165.6
[M+Na]+ 303.14678 173.9
[M-H]- 279.15028 175.3
[M+NH4]+ 298.19138 182.5
[M+K]+ 319.12072 170.2
[M+H-H2O]+ 263.15482 157.1
[M+HCOO]- 325.15576 188.5
[M+CH3COO]- 339.17141 178.1
[M+Na-2H]- 301.13223 170.3
[M]+ 280.15701 166.2
[M]- 280.15811 166.2
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

patents stripe