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
1
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]+ 263.11791 156.0
[M+Na]+ 285.09985 165.3
[M-H]- 261.10335 164.3
[M+NH4]+ 280.14445 173.5
[M+K]+ 301.07379 160.7
[M+H-H2O]+ 245.10789 147.7
[M+HCOO]- 307.10883 178.8
[M+CH3COO]- 321.12448 168.9
[M+Na-2H]- 283.08530 165.3
[M]+ 262.11008 157.0
[M]- 262.11118 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.