CID 3061441

79213-93-7

Structural Information

Molecular Formula
C17H18N2O
SMILES
CC1(N=C(C(O1)C2=CC=C(C=C2)N)C3=CC=CC=C3)C
InChI
InChI=1S/C17H18N2O/c1-17(2)19-15(12-6-4-3-5-7-12)16(20-17)13-8-10-14(18)11-9-13/h3-11,16H,18H2,1-2H3
InChIKey
UWIHBKWDHFNTOY-UHFFFAOYSA-N
Compound name
4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

266.1419 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.149176 161.8
[M+Na]+ 289.131118 170.5
[M-H]- 265.134624 171.2
[M+NH4]+ 284.175723 179.0
[M+K]+ 305.105058 166.8
[M+H-H2O]+ 249.139160 153.5
[M+HCOO]- 311.140101 184.4
[M+CH3COO]- 325.155751 174.5
[M+Na-2H]- 287.116566 166.0
[M]+ 266.14135142 161.1
[M]- 266.14244858 161.1
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