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]+ 299.17540 169.8
[M+Na]+ 321.15734 177.5
[M-H]- 297.16084 174.9
[M+NH4]+ 316.20194 182.5
[M+K]+ 337.13128 176.2
[M+H-H2O]+ 281.16538 161.6
[M+HCOO]- 343.16632 185.9
[M+CH3COO]- 357.18197 179.9
[M+Na-2H]- 319.14279 172.4
[M]+ 298.16757 165.9
[M]- 298.16867 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.