CID 604360

Brn 4821249

Structural Information

Molecular Formula
C20H26N2O2
SMILES
C1CCC(CC1)C(=O)N2CCC3C4=CC=CC=C4CCN3C(=O)C2
InChI
InChI=1S/C20H26N2O2/c23-19-14-21(20(24)16-7-2-1-3-8-16)12-11-18-17-9-5-4-6-15(17)10-13-22(18)19/h4-6,9,16,18H,1-3,7-8,10-14H2
InChIKey
SVYGPONWGQHWRD-UHFFFAOYSA-N
Compound name
3-(cyclohexanecarbonyl)-1,2,4,7,8,12b-hexahydro-[1,4]diazepino[7,1-a]isoquinolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.19943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.206706 177.8
[M+Na]+ 349.188648 179.7
[M-H]- 325.192154 182.2
[M+NH4]+ 344.233253 189.4
[M+K]+ 365.162588 178.1
[M+H-H2O]+ 309.196690 168.3
[M+HCOO]- 371.197631 186.6
[M+CH3COO]- 385.213281 184.8
[M+Na-2H]- 347.174096 178.1
[M]+ 326.19888142 166.6
[M]- 326.19997858 166.6
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.