CID 495383

Nsc652159

Structural Information

Molecular Formula
C21H24N2O4
SMILES
COC1=C(C=C2C3C(CN3CCC2=C1)COC(=O)NC4=CC=CC=C4)OC
InChI
InChI=1S/C21H24N2O4/c1-25-18-10-14-8-9-23-12-15(20(23)17(14)11-19(18)26-2)13-27-21(24)22-16-6-4-3-5-7-16/h3-7,10-11,15,20H,8-9,12-13H2,1-2H3,(H,22,24)
InChIKey
KXDJOUNIDKLAMT-UHFFFAOYSA-N
Compound name
(7,8-dimethoxy-2,4,5,9b-tetrahydro-1H-azeto[2,1-a]isoquinolin-1-yl)methyl N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.1736 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.18088 184.7
[M+Na]+ 391.16282 188.6
[M-H]- 367.16632 190.3
[M+NH4]+ 386.20742 190.6
[M+K]+ 407.13676 188.9
[M+H-H2O]+ 351.17086 169.1
[M+HCOO]- 413.17180 200.7
[M+CH3COO]- 427.18745 222.7
[M+Na-2H]- 389.14827 187.8
[M]+ 368.17305 195.5
[M]- 368.17415 195.5
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.