CID 91819915

(-)-notoamide t

Structural Information

Molecular Formula
C26H31N3O3
SMILES
CC(=CCC1=C(C=CC2=C1NC3=C2C[C@]45[C@H](C3(C)C)C[C@@]6(CCCN6C4=O)C(=O)N5)O)C
InChI
InChI=1S/C26H31N3O3/c1-14(2)6-7-16-18(30)9-8-15-17-12-26-19(24(3,4)21(17)27-20(15)16)13-25(22(31)28-26)10-5-11-29(25)23(26)32/h6,8-9,19,27,30H,5,7,10-13H2,1-4H3,(H,28,31)/t19-,25-,26-/m0/s1
InChIKey
RWBYEKCUNMXINJ-CNVLFFCLSA-N
Compound name
(1S,13S,15S)-7-hydroxy-12,12-dimethyl-8-(3-methylbut-2-enyl)-10,19,21-triazahexacyclo[13.5.2.01,13.03,11.04,9.015,19]docosa-3(11),4(9),5,7-tetraene-20,22-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

433.23654 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.243816 201.0
[M+Na]+ 456.225758 207.4
[M-H]- 432.229264 197.2
[M+NH4]+ 451.270363 220.2
[M+K]+ 472.199698 198.3
[M+H-H2O]+ 416.233800 190.8
[M+HCOO]- 478.234741 199.1
[M+CH3COO]- 492.250391 205.8
[M+Na-2H]- 454.211206 201.2
[M]+ 433.23599142 200.4
[M]- 433.23708858 200.4
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

No patent data available for this compound.