CID 131751004

14,19-didehydrocondyfolan

Structural Information

Molecular Formula
C18H22N2
SMILES
C/C=C/1\C2CCN3C1C4(CC3)C(C2)NC5=CC=CC=C45
InChI
InChI=1S/C18H22N2/c1-2-13-12-7-9-20-10-8-18(17(13)20)14-5-3-4-6-15(14)19-16(18)11-12/h2-6,12,16-17,19H,7-11H2,1H3/b13-2+
InChIKey
DSEPQHRHLTVWHD-XNJYKOPJSA-N
Compound name
(18E)-18-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.17828 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18556 166.0
[M+Na]+ 289.16750 176.6
[M+NH4]+ 284.21210 178.0
[M+K]+ 305.14144 169.7
[M-H]- 265.17100 167.5
[M+Na-2H]- 287.15295 166.6
[M]+ 266.17773 167.9
[M]- 266.17883 167.9
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.