CID 118871

35773-43-4

Structural Information

Molecular Formula
C20H17ClN2O3
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=C(O3)C=CC(=C4)Cl
InChI
InChI=1S/C20H17ClN2O3/c1-3-23(4-2)14-7-5-12-9-15(20(24)26-18(12)11-14)19-22-16-10-13(21)6-8-17(16)25-19/h5-11H,3-4H2,1-2H3
InChIKey
CBNSBRVOBGWOBM-UHFFFAOYSA-N
Compound name
3-(5-chloro-1,3-benzoxazol-2-yl)-7-(diethylamino)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

735
Patents

368.09277 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.10005 184.4
[M+Na]+ 391.08199 202.7
[M+NH4]+ 386.12659 193.3
[M+K]+ 407.05593 195.7
[M-H]- 367.08549 192.9
[M+Na-2H]- 389.06744 191.9
[M]+ 368.09222 190.1
[M]- 368.09332 190.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe