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]+ 259.144116 158.8
[M+Na]+ 281.126058 164.2
[M-H]- 257.129564 164.2
[M+NH4]+ 276.170663 174.4
[M+K]+ 297.099998 163.5
[M+H-H2O]+ 241.134100 150.4
[M+HCOO]- 303.135041 175.3
[M+CH3COO]- 317.150691 169.2
[M+Na-2H]- 279.111506 160.0
[M]+ 258.13629142 152.7
[M]- 258.13738858 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.