CID 3055402

10-methoxy raubasinique acide hydrazide

Structural Information

Molecular Formula
C21H26N4O3
SMILES
C[C@H]1[C@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)NN)NC5=C4C=C(C=C5)OC
InChI
InChI=1S/C21H26N4O3/c1-11-16-9-25-6-5-13-15-7-12(27-2)3-4-18(15)23-20(13)19(25)8-14(16)17(10-28-11)21(26)24-22/h3-4,7,10-11,14,16,19,23H,5-6,8-9,22H2,1-2H3,(H,24,26)/t11-,14-,16+,19-/m0/s1
InChIKey
YGBQXBYXUXXTLD-DIHAYXGESA-N
Compound name
(1S,15R,16S,20S)-7-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

382.2005 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.20778 192.0
[M+Na]+ 405.18972 202.5
[M+NH4]+ 400.23432 199.3
[M+K]+ 421.16366 198.3
[M-H]- 381.19322 195.9
[M+Na-2H]- 403.17517 191.3
[M]+ 382.19995 194.3
[M]- 382.20105 194.3
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