CID 100792

78497-51-5

Structural Information

Molecular Formula
C19H16N2O6
SMILES
CC1=CN(C(=O)NC1=O)CCCOC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3
InChI
InChI=1S/C19H16N2O6/c1-11-10-21(19(24)20-18(11)23)6-2-7-25-17-15-13(5-8-26-15)9-12-3-4-14(22)27-16(12)17/h3-5,8-10H,2,6-7H2,1H3,(H,20,23,24)
InChIKey
GUTMVLOMRYXGMA-UHFFFAOYSA-N
Compound name
5-methyl-1-[3-(7-oxofuro[3,2-g]chromen-9-yl)oxypropyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.10083 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.10811 183.0
[M+Na]+ 391.09005 196.0
[M-H]- 367.09355 190.8
[M+NH4]+ 386.13465 193.4
[M+K]+ 407.06399 192.7
[M+H-H2O]+ 351.09809 174.0
[M+HCOO]- 413.09903 202.4
[M+CH3COO]- 427.11468 195.0
[M+Na-2H]- 389.07550 188.5
[M]+ 368.10028 192.4
[M]- 368.10138 192.4
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.