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

741
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 188.1
[M+Na]+ 391.08199 200.5
[M-H]- 367.08549 199.0
[M+NH4]+ 386.12659 201.9
[M+K]+ 407.05593 196.8
[M+H-H2O]+ 351.09003 179.7
[M+HCOO]- 413.09097 206.2
[M+CH3COO]- 427.10662 200.6
[M+Na-2H]- 389.06744 193.2
[M]+ 368.09222 198.9
[M]- 368.09332 198.9
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