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]+ 434.24382 201.0
[M+Na]+ 456.22576 207.4
[M-H]- 432.22926 197.2
[M+NH4]+ 451.27036 220.2
[M+K]+ 472.19970 198.3
[M+H-H2O]+ 416.23380 190.8
[M+HCOO]- 478.23474 199.1
[M+CH3COO]- 492.25039 205.8
[M+Na-2H]- 454.21121 201.2
[M]+ 433.23599 200.4
[M]- 433.23709 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.