CID 379224

92965-79-2

Structural Information

Molecular Formula
C16H16N2O
SMILES
C1COC(=N1)NC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H16N2O/c1-3-7-13(8-4-1)15(14-9-5-2-6-10-14)18-16-17-11-12-19-16/h1-10,15H,11-12H2,(H,17,18)
InChIKey
PKQVSBQIQNUSJC-UHFFFAOYSA-N
Compound name
N-benzhydryl-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.12627 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.133546 156.8
[M+Na]+ 275.115488 161.7
[M-H]- 251.118994 165.2
[M+NH4]+ 270.160093 171.6
[M+K]+ 291.089428 158.8
[M+H-H2O]+ 235.123530 147.7
[M+HCOO]- 297.124471 179.2
[M+CH3COO]- 311.140121 168.4
[M+Na-2H]- 273.100936 162.5
[M]+ 252.12572142 154.4
[M]- 252.12681858 154.4
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.