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

593
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.