CID 3053963

Oc-350

Structural Information

Molecular Formula
C22H28N4O4
SMILES
C[C@H]1[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2C(=CO1)C(=O)NN)NC5=CC(=C(C=C45)OC)OC
InChI
InChI=1S/C22H28N4O4/c1-11-15-9-26-5-4-12-14-7-19(28-2)20(29-3)8-17(14)24-21(12)18(26)6-13(15)16(10-30-11)22(27)25-23/h7-8,10-11,13,15,18,24H,4-6,9,23H2,1-3H3,(H,25,27)/t11-,13-,15-,18+/m0/s1
InChIKey
VZOCRKQLEHVGKU-MCTKYDIJSA-N
Compound name
(1R,15S,16S,20S)-6,7-dimethoxy-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-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

412.21106 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.21834 199.8
[M+Na]+ 435.20028 210.0
[M+NH4]+ 430.24488 206.4
[M+K]+ 451.17422 206.3
[M-H]- 411.20378 203.3
[M+Na-2H]- 433.18573 198.2
[M]+ 412.21051 201.9
[M]- 412.21161 201.9
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