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

1
Patents

338.19943 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.206706 184.3
[M+Na]+ 361.188648 190.7
[M-H]- 337.192154 186.2
[M+NH4]+ 356.233253 205.1
[M+K]+ 377.162588 184.6
[M+H-H2O]+ 321.196690 176.3
[M+HCOO]- 383.197631 193.4
[M+CH3COO]- 397.213281 192.9
[M+Na-2H]- 359.174096 182.5
[M]+ 338.19888142 183.4
[M]- 338.19997858 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

patents stripe