CID 3061398

79120-79-9

Structural Information

Molecular Formula
C22H27N3O2
SMILES
CCNC(=O)C1=CO[C@H]([C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)C
InChI
InChI=1S/C22H27N3O2/c1-3-23-22(26)18-12-27-13(2)17-11-25-9-8-15-14-6-4-5-7-19(14)24-21(15)20(25)10-16(17)18/h4-7,12-13,16-17,20,24H,3,8-11H2,1-2H3,(H,23,26)/t13-,16-,17+,20-/m0/s1
InChIKey
IPYDTXHSXUMKBI-NYYTWLDWSA-N
Compound name
(1S,15R,16S,20S)-N-ethyl-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

365.21033 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.21761 189.9
[M+Na]+ 388.19955 202.1
[M+NH4]+ 383.24415 198.4
[M+K]+ 404.17349 196.2
[M-H]- 364.20305 194.2
[M+Na-2H]- 386.18500 190.4
[M]+ 365.20978 192.8
[M]- 365.21088 192.8
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