CID 282178

1676-49-9

Structural Information

Molecular Formula
C15H24N2O2
SMILES
CC1C=C(C=C(N(C1=O)CCN2CCOCC2)C)C
InChI
InChI=1S/C15H24N2O2/c1-12-10-13(2)15(18)17(14(3)11-12)5-4-16-6-8-19-9-7-16/h10-11,13H,4-9H2,1-3H3
InChIKey
ZATKVRIJXYUBSF-UHFFFAOYSA-N
Compound name
3,5,7-trimethyl-1-(2-morpholin-4-ylethyl)-3H-azepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
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 160.3
[M+Na]+ 287.17300 164.9
[M-H]- 263.17650 165.2
[M+NH4]+ 282.21760 172.3
[M+K]+ 303.14694 167.3
[M+H-H2O]+ 247.18104 151.4
[M+HCOO]- 309.18198 175.1
[M+CH3COO]- 323.19763 200.4
[M+Na-2H]- 285.15845 161.5
[M]+ 264.18323 156.3
[M]- 264.18433 156.3
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

patents stripe