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]+ 237.19614 150.7
[M+Na]+ 259.17808 156.5
[M-H]- 235.18158 155.7
[M+NH4]+ 254.22268 167.4
[M+K]+ 275.15202 160.0
[M+H-H2O]+ 219.18612 143.9
[M+HCOO]- 281.18706 172.1
[M+CH3COO]- 295.20271 204.0
[M+Na-2H]- 257.16353 152.3
[M]+ 236.18831 151.1
[M]- 236.18941 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