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]+ 325.191056 180.3
[M+Na]+ 347.172998 188.9
[M-H]- 323.176504 183.1
[M+NH4]+ 342.217603 197.3
[M+K]+ 363.146938 183.5
[M+H-H2O]+ 307.181040 171.7
[M+HCOO]- 369.181981 195.0
[M+CH3COO]- 383.197631 190.5
[M+Na-2H]- 345.158446 182.2
[M]+ 324.18323142 184.1
[M]- 324.18432858 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