CID 3078756

Brn 5994547

Structural Information

Molecular Formula
C20H18ClNO3
SMILES
C1COCCN1C2C(=CC3=C(O2)C=CC(=C3)Cl)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C20H18ClNO3/c21-16-6-7-18-15(12-16)13-17(19(23)14-4-2-1-3-5-14)20(25-18)22-8-10-24-11-9-22/h1-7,12-13,20H,8-11H2
InChIKey
VKIQYQWRSVENSH-UHFFFAOYSA-N
Compound name
(6-chloro-2-morpholin-4-yl-2H-chromen-3-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.09753 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.10481 183.1
[M+Na]+ 378.08675 189.2
[M-H]- 354.09025 192.2
[M+NH4]+ 373.13135 192.7
[M+K]+ 394.06069 185.6
[M+H-H2O]+ 338.09479 172.9
[M+HCOO]- 400.09573 192.5
[M+CH3COO]- 414.11138 192.4
[M+Na-2H]- 376.07220 186.4
[M]+ 355.09698 182.6
[M]- 355.09808 182.6
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.