CID 15493

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

Structural Information

Molecular Formula
C14H24N2O
SMILES
CC1C=C(C=C(N(C1=O)CCCN(C)C)C)C
InChI
InChI=1S/C14H24N2O/c1-11-9-12(2)14(17)16(13(3)10-11)8-6-7-15(4)5/h9-10,12H,6-8H2,1-5H3
InChIKey
MJDPXTVTSLCLLC-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)propyl]-3,5,7-trimethyl-3H-azepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

236.18886 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.196136 150.7
[M+Na]+ 259.178078 156.5
[M-H]- 235.181584 155.7
[M+NH4]+ 254.222683 167.4
[M+K]+ 275.152018 160.0
[M+H-H2O]+ 219.186120 143.9
[M+HCOO]- 281.187061 172.1
[M+CH3COO]- 295.202711 204.0
[M+Na-2H]- 257.163526 152.3
[M]+ 236.18831142 151.1
[M]- 236.18940858 151.1
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

patents stripe