CID 50430

Brn 0488536

Structural Information

Molecular Formula
C18H22N2O2
SMILES
CC1=CC2=C(C=C1C)NC(=O)C=C(C2=O)CN3CCCCC3
InChI
InChI=1S/C18H22N2O2/c1-12-8-15-16(9-13(12)2)19-17(21)10-14(18(15)22)11-20-6-4-3-5-7-20/h8-10H,3-7,11H2,1-2H3,(H,19,21)
InChIKey
LRBYGSUBNSRQMK-UHFFFAOYSA-N
Compound name
7,8-dimethyl-4-(piperidin-1-ylmethyl)-1H-1-benzazepine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.16812 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.175396 169.8
[M+Na]+ 321.157338 177.5
[M-H]- 297.160844 174.9
[M+NH4]+ 316.201943 182.5
[M+K]+ 337.131278 176.2
[M+H-H2O]+ 281.165380 161.6
[M+HCOO]- 343.166321 185.9
[M+CH3COO]- 357.181971 179.9
[M+Na-2H]- 319.142786 172.4
[M]+ 298.16757142 165.9
[M]- 298.16866858 165.9
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.