CID 3055404

10,11-dimethoxy 3-isotetrahydroalstonique acide n'-(ethoxycarbonyl) hydrazide [french]

Structural Information

Molecular Formula
C25H32N4O6
SMILES
CCOC(=O)NNC(=O)C1=CO[C@H]([C@H]2[C@@H]1C[C@@H]3C4=C(CCN3C2)C5=CC(=C(C=C5N4)OC)OC)C
InChI
InChI=1S/C25H32N4O6/c1-5-34-25(31)28-27-24(30)18-12-35-13(2)17-11-29-7-6-14-16-9-21(32-3)22(33-4)10-19(16)26-23(14)20(29)8-15(17)18/h9-10,12-13,15,17,20,26H,5-8,11H2,1-4H3,(H,27,30)(H,28,31)/t13-,15-,17-,20+/m0/s1
InChIKey
FSQDEKJRAORNSY-NUADTHGBSA-N
Compound name
ethyl N-[[(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-carbonyl]amino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.23218 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.23946 212.3
[M+Na]+ 507.22140 216.2
[M-H]- 483.22490 215.0
[M+NH4]+ 502.26600 220.2
[M+K]+ 523.19534 213.8
[M+H-H2O]+ 467.22944 203.1
[M+HCOO]- 529.23038 220.9
[M+CH3COO]- 543.24603 245.0
[M+Na-2H]- 505.20685 212.8
[M]+ 484.23163 214.5
[M]- 484.23273 214.5
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

No patent data available for this compound.