CID 283490

Nsc138333

Structural Information

Molecular Formula
C19H18N2O5
SMILES
CC(=O)OCC1C(COC1=O)C(=O)N2CC3=CC4=CC=CC=C4N=C3C2
InChI
InChI=1S/C19H18N2O5/c1-11(22)25-10-15-14(9-26-19(15)24)18(23)21-7-13-6-12-4-2-3-5-16(12)20-17(13)8-21/h2-6,14-15H,7-10H2,1H3
InChIKey
CYNXEFBQUHGDIH-UHFFFAOYSA-N
Compound name
[4-(1,3-dihydropyrrolo[3,4-b]quinoline-2-carbonyl)-2-oxooxolan-3-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.12158 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.12886 181.4
[M+Na]+ 377.11080 188.4
[M-H]- 353.11430 188.0
[M+NH4]+ 372.15540 195.4
[M+K]+ 393.08474 186.2
[M+H-H2O]+ 337.11884 173.9
[M+HCOO]- 399.11978 196.6
[M+CH3COO]- 413.13543 212.4
[M+Na-2H]- 375.09625 179.8
[M]+ 354.12103 183.8
[M]- 354.12213 183.8
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.