CID 356998

Nsc614567

Structural Information

Molecular Formula
C17H14ClNO5
SMILES
CC1=C(C(=O)OC2=C(C3=C(C=C12)C(=O)C=CO3)C)NC(=O)CCCl
InChI
InChI=1S/C17H14ClNO5/c1-8-10-7-11-12(20)4-6-23-15(11)9(2)16(10)24-17(22)14(8)19-13(21)3-5-18/h4,6-7H,3,5H2,1-2H3,(H,19,21)
InChIKey
SYNQZTVZCIEMKE-UHFFFAOYSA-N
Compound name
3-chloro-N-(4,10-dimethyl-2,6-dioxopyrano[3,2-g]chromen-3-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.05606 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.06334 176.3
[M+Na]+ 370.04528 189.6
[M-H]- 346.04878 184.8
[M+NH4]+ 365.08988 190.6
[M+K]+ 386.01922 186.9
[M+H-H2O]+ 330.05332 169.6
[M+HCOO]- 392.05426 194.1
[M+CH3COO]- 406.06991 215.6
[M+Na-2H]- 368.03073 183.3
[M]+ 347.05551 187.6
[M]- 347.05661 187.6
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.