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 164.7
[M+Na]+ 289.16750 170.9
[M-H]- 265.17100 165.3
[M+NH4]+ 284.21210 187.6
[M+K]+ 305.14144 163.4
[M+H-H2O]+ 249.17554 156.4
[M+HCOO]- 311.17648 174.3
[M+CH3COO]- 325.19213 173.9
[M+Na-2H]- 287.15295 166.1
[M]+ 266.17773 159.0
[M]- 266.17883 159.0
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.