CID 16775131

1-(naphthalene-2-carbonyl)-1,4-diazepane hydrochloride

Structural Information

Molecular Formula
C16H18N2O
SMILES
C1CNCCN(C1)C(=O)C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C16H18N2O/c19-16(18-10-3-8-17-9-11-18)15-7-6-13-4-1-2-5-14(13)12-15/h1-2,4-7,12,17H,3,8-11H2
InChIKey
LGOFRMMHQNOEDL-UHFFFAOYSA-N
Compound name
1,4-diazepan-1-yl(naphthalen-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1419 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14918 160.0
[M+Na]+ 277.13112 171.0
[M+NH4]+ 272.17572 167.5
[M+K]+ 293.10506 165.1
[M-H]- 253.13462 162.9
[M+Na-2H]- 275.11657 166.7
[M]+ 254.14135 162.3
[M]- 254.14245 162.3
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.