CID 3061384

79087-63-1

Structural Information

Molecular Formula
C24H30N2O3
SMILES
CCCCOC(=O)C1=CO[C@H]([C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)C
InChI
InChI=1S/C24H30N2O3/c1-3-4-11-28-24(27)20-14-29-15(2)19-13-26-10-9-17-16-7-5-6-8-21(16)25-23(17)22(26)12-18(19)20/h5-8,14-15,18-19,22,25H,3-4,9-13H2,1-2H3/t15-,18-,19+,22-/m0/s1
InChIKey
RXICPMUOPKUHHL-XCRNZQRYSA-N
Compound name
butyl (1S,15R,16S,20S)-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-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

394.22565 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.23293 198.6
[M+Na]+ 417.21487 211.1
[M+NH4]+ 412.25947 206.7
[M+K]+ 433.18881 204.9
[M-H]- 393.21837 202.1
[M+Na-2H]- 415.20032 198.3
[M]+ 394.22510 201.4
[M]- 394.22620 201.4
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