CID 379588

1-anthramine, n-(2-oxazolin-2-yl)-

Structural Information

Molecular Formula
C17H14N2O
SMILES
C1COC(=N1)NC2=CC=CC3=CC4=CC=CC=C4C=C32
InChI
InChI=1S/C17H14N2O/c1-2-5-13-11-15-14(10-12(13)4-1)6-3-7-16(15)19-17-18-8-9-20-17/h1-7,10-11H,8-9H2,(H,18,19)
InChIKey
DYWYQTOLSPOWGU-UHFFFAOYSA-N
Compound name
N-anthracen-1-yl-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

262.11063 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.117906 156.0
[M+Na]+ 285.099848 165.3
[M-H]- 261.103354 164.3
[M+NH4]+ 280.144453 173.5
[M+K]+ 301.073788 160.7
[M+H-H2O]+ 245.107890 147.7
[M+HCOO]- 307.108831 178.8
[M+CH3COO]- 321.124481 168.9
[M+Na-2H]- 283.085296 165.3
[M]+ 262.11008142 157.0
[M]- 262.11117858 157.0
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.