CID 315286

2-phthalimidoacetaldehyde diethyl acetal

Structural Information

Molecular Formula
C14H17NO4
SMILES
CCOC(CN1C(=O)C2=CC=CC=C2C1=O)OCC
InChI
InChI=1S/C14H17NO4/c1-3-18-12(19-4-2)9-15-13(16)10-7-5-6-8-11(10)14(15)17/h5-8,12H,3-4,9H2,1-2H3
InChIKey
GEFXJJJQUSEHLV-UHFFFAOYSA-N
Compound name
2-(2,2-diethoxyethyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

252
Patents

263.11575 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12303 158.5
[M+Na]+ 286.10497 166.8
[M-H]- 262.10847 161.7
[M+NH4]+ 281.14957 177.0
[M+K]+ 302.07891 164.6
[M+H-H2O]+ 246.11301 151.9
[M+HCOO]- 308.11395 179.5
[M+CH3COO]- 322.12960 197.5
[M+Na-2H]- 284.09042 160.7
[M]+ 263.11520 163.7
[M]- 263.11630 163.7
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