CID 6266786

1-[(18e)-18-ethylidene-6-methoxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5-trien-8-yl]ethanone

Structural Information

Molecular Formula
C21H26N2O2
SMILES
C/C=C/1\C2CCN3C1C4(CC3)C(C2)N(C5=C4C=CC=C5OC)C(=O)C
InChI
InChI=1S/C21H26N2O2/c1-4-15-14-8-10-22-11-9-21(20(15)22)16-6-5-7-17(25-3)19(16)23(13(2)24)18(21)12-14/h4-7,14,18,20H,8-12H2,1-3H3/b15-4+
InChIKey
CCNTUVFHVFQEJI-SYZQJQIISA-N
Compound name
1-[(18E)-18-ethylidene-6-methoxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5-trien-8-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.19943 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20671 183.8
[M+Na]+ 361.18865 193.7
[M+NH4]+ 356.23325 194.2
[M+K]+ 377.16259 188.0
[M-H]- 337.19215 184.4
[M+Na-2H]- 359.17410 182.6
[M]+ 338.19888 185.3
[M]- 338.19998 185.3
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.