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 184.3
[M+Na]+ 361.18865 190.7
[M-H]- 337.19215 186.2
[M+NH4]+ 356.23325 205.1
[M+K]+ 377.16259 184.6
[M+H-H2O]+ 321.19669 176.3
[M+HCOO]- 383.19763 193.4
[M+CH3COO]- 397.21328 192.9
[M+Na-2H]- 359.17410 182.5
[M]+ 338.19888 183.4
[M]- 338.19998 183.4
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.