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

5
Patents

266.1419 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.14918 161.8
[M+Na]+ 289.13112 170.5
[M-H]- 265.13462 171.2
[M+NH4]+ 284.17572 179.0
[M+K]+ 305.10506 166.8
[M+H-H2O]+ 249.13916 153.5
[M+HCOO]- 311.14010 184.4
[M+CH3COO]- 325.15575 174.5
[M+Na-2H]- 287.11657 166.0
[M]+ 266.14135 161.1
[M]- 266.14245 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