CID 493958

1-benzopyranium, 4-(4-morpholinyl)-2-phenyl-

Structural Information

Molecular Formula
C19H18NO2
SMILES
C1COCC[N+]1=C2C=C(OC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C19H18NO2/c1-2-6-15(7-3-1)19-14-17(20-10-12-21-13-11-20)16-8-4-5-9-18(16)22-19/h1-9,14H,10-13H2/q+1
InChIKey
KRSMLJTZAOCJJH-UHFFFAOYSA-N
Compound name
4-(2-phenylchromen-4-ylidene)morpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.13376 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.14104 170.8
[M+Na]+ 315.12298 176.8
[M-H]- 291.12648 180.6
[M+NH4]+ 310.16758 181.9
[M+K]+ 331.09692 168.1
[M+H-H2O]+ 275.13102 163.0
[M+HCOO]- 337.13196 187.0
[M+CH3COO]- 351.14761 181.1
[M+Na-2H]- 313.10843 179.9
[M]+ 292.13321 166.5
[M]- 292.13431 166.5
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.