CID 3039380

Ethyl (+-)-10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5,10-imine-12-carboxylate

Structural Information

Molecular Formula
C18H17NO2
SMILES
CCOC(=O)N1C2CC3=CC=CC=C3C1C4=CC=CC=C24
InChI
InChI=1S/C18H17NO2/c1-2-21-18(20)19-16-11-12-7-3-4-8-13(12)17(19)15-10-6-5-9-14(15)16/h3-10,16-17H,2,11H2,1H3
InChIKey
XHEJSHQBYPAPAD-UHFFFAOYSA-N
Compound name
ethyl 16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene-16-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.12592 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.133196 164.4
[M+Na]+ 302.115138 172.6
[M-H]- 278.118644 167.7
[M+NH4]+ 297.159743 184.6
[M+K]+ 318.089078 167.6
[M+H-H2O]+ 262.123180 157.0
[M+HCOO]- 324.124121 181.0
[M+CH3COO]- 338.139771 175.7
[M+Na-2H]- 300.100586 169.5
[M]+ 279.12537142 166.3
[M]- 279.12646858 166.3
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.