CID 58254

Nsc664278

Structural Information

Molecular Formula
C16H14N2O
SMILES
C1COC(=N1)NC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C16H14N2O/c1-3-7-13-11(5-1)12-6-2-4-8-14(12)15(13)18-16-17-9-10-19-16/h1-8,15H,9-10H2,(H,17,18)
InChIKey
YXWWPDIUHXAGNG-UHFFFAOYSA-N
Compound name
N-(9H-fluoren-9-yl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

16
Patents

250.11061 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11789 153.2
[M+Na]+ 273.09983 161.8
[M-H]- 249.10333 161.5
[M+NH4]+ 268.14443 173.0
[M+K]+ 289.07377 158.0
[M+H-H2O]+ 233.10787 146.2
[M+HCOO]- 295.10881 175.8
[M+CH3COO]- 309.12446 166.3
[M+Na-2H]- 271.08528 159.2
[M]+ 250.11006 153.5
[M]- 250.11116 153.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe