CID 53722884

94831-75-1

Structural Information

Molecular Formula
C20H24N2O2
SMILES
CCC1C=C(N2C3=CC=CC=C3C4=C2C1N(CC4)CC)C(=O)OC
InChI
InChI=1S/C20H24N2O2/c1-4-13-12-17(20(23)24-3)22-16-9-7-6-8-14(16)15-10-11-21(5-2)18(13)19(15)22/h6-9,12-13,18H,4-5,10-11H2,1-3H3
InChIKey
CILODEGDEYCMLM-UHFFFAOYSA-N
Compound name
methyl 4,6-diethyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-2,9(16),10,12,14-pentaene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

324.18378 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.19106 180.3
[M+Na]+ 347.17300 188.9
[M-H]- 323.17650 183.1
[M+NH4]+ 342.21760 197.3
[M+K]+ 363.14694 183.5
[M+H-H2O]+ 307.18104 171.7
[M+HCOO]- 369.18198 195.0
[M+CH3COO]- 383.19763 190.5
[M+Na-2H]- 345.15845 182.2
[M]+ 324.18323 184.1
[M]- 324.18433 184.1
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