CID 3078759

Brn 6007374

Structural Information

Molecular Formula
C20H18N2O5
SMILES
C1COCCN1C2C(=CC3=C(O2)C=CC(=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4
InChI
InChI=1S/C20H18N2O5/c23-19(14-4-2-1-3-5-14)17-13-15-12-16(22(24)25)6-7-18(15)27-20(17)21-8-10-26-11-9-21/h1-7,12-13,20H,8-11H2
InChIKey
QSXUIEUSTUHSFC-UHFFFAOYSA-N
Compound name
(2-morpholin-4-yl-6-nitro-2H-chromen-3-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.12158 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.12886 182.4
[M+Na]+ 389.11080 197.4
[M+NH4]+ 384.15540 189.8
[M+K]+ 405.08474 193.5
[M-H]- 365.11430 192.0
[M+Na-2H]- 387.09625 189.3
[M]+ 366.12103 187.2
[M]- 366.12213 187.2
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.