CID 715070

N-((hexahydro-1h-azepin-1-yl)methyl)phthalimide

Structural Information

Molecular Formula
C15H18N2O2
SMILES
C1CCCN(CC1)CN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C15H18N2O2/c18-14-12-7-3-4-8-13(12)15(19)17(14)11-16-9-5-1-2-6-10-16/h3-4,7-8H,1-2,5-6,9-11H2
InChIKey
GXLXIJHZQVPFHO-UHFFFAOYSA-N
Compound name
2-(azepan-1-ylmethyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

258.13684 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14412 158.8
[M+Na]+ 281.12606 164.2
[M-H]- 257.12956 164.2
[M+NH4]+ 276.17066 174.4
[M+K]+ 297.10000 163.5
[M+H-H2O]+ 241.13410 150.4
[M+HCOO]- 303.13504 175.3
[M+CH3COO]- 317.15069 169.2
[M+Na-2H]- 279.11151 160.0
[M]+ 258.13629 152.7
[M]- 258.13739 152.7
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

No patent data available for this compound.