CID 2850065

312608-28-9

Structural Information

Molecular Formula
C18H22N2O4
SMILES
CC(=O)N(CN1C(=O)C2CCCCC2C1=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C18H22N2O4/c1-12(21)19(13-7-9-14(24-2)10-8-13)11-20-17(22)15-5-3-4-6-16(15)18(20)23/h7-10,15-16H,3-6,11H2,1-2H3
InChIKey
ZHMANZOZQMHSFD-UHFFFAOYSA-N
Compound name
N-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)methyl]-N-(4-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

330.15796 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.16524 176.4
[M+Na]+ 353.14718 181.4
[M-H]- 329.15068 183.3
[M+NH4]+ 348.19178 191.8
[M+K]+ 369.12112 179.2
[M+H-H2O]+ 313.15522 168.2
[M+HCOO]- 375.15616 194.7
[M+CH3COO]- 389.17181 214.8
[M+Na-2H]- 351.13263 175.0
[M]+ 330.15741 176.2
[M]- 330.15851 176.2
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

No patent data available for this compound.