CID 3055398

Tetrahydroalstonique acide hydrazide

Structural Information

Molecular Formula
C20H24N4O2
SMILES
C[C@H]1[C@@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)NN)NC5=CC=CC=C45
InChI
InChI=1S/C20H24N4O2/c1-11-15-9-24-7-6-13-12-4-2-3-5-17(12)22-19(13)18(24)8-14(15)16(10-26-11)20(25)23-21/h2-5,10-11,14-15,18,22H,6-9,21H2,1H3,(H,23,25)/t11-,14-,15-,18-/m0/s1
InChIKey
ZHKGKISHASKDEL-HEWDHTHVSA-N
Compound name
(1S,15S,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-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

352.1899 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.19718 184.1
[M+Na]+ 375.17912 195.0
[M+NH4]+ 370.22372 192.2
[M+K]+ 391.15306 190.3
[M-H]- 351.18262 188.4
[M+Na-2H]- 373.16457 184.4
[M]+ 352.18935 186.6
[M]- 352.19045 186.6
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