CID 15499

2h-azepin-2-one, 1,3-dihydro-1-(2-morpholinoethyl)-3,5,7-trimethyl-, hydrochloride

Structural Information

Molecular Formula
C15H24N2O2
SMILES
CC1C=C(C=C(N(C1=O)CCC2CNCCO2)C)C
InChI
InChI=1S/C15H24N2O2/c1-11-8-12(2)15(18)17(13(3)9-11)6-4-14-10-16-5-7-19-14/h8-9,12,14,16H,4-7,10H2,1-3H3
InChIKey
ZJBIAZQDWNGOEJ-UHFFFAOYSA-N
Compound name
3,5,7-trimethyl-1-(2-morpholin-2-ylethyl)-3H-azepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.18378 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.19106 161.5
[M+Na]+ 287.17300 165.6
[M-H]- 263.17650 165.1
[M+NH4]+ 282.21760 172.8
[M+K]+ 303.14694 167.3
[M+H-H2O]+ 247.18104 152.7
[M+HCOO]- 309.18198 174.9
[M+CH3COO]- 323.19763 198.0
[M+Na-2H]- 285.15845 162.2
[M]+ 264.18323 155.7
[M]- 264.18433 155.7
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.