CID 3054216

Strychnine, 2-isobutyramido-

Structural Information

Molecular Formula
C25H29N3O3
SMILES
CC(C)C(=O)NC1=CC2=C(C=C1)N3[C@@H]4C25CCN6[C@H]5C[C@@H]7[C@H]4[C@H](CC3=O)OCC=C7C6
InChI
InChI=1S/C25H29N3O3/c1-13(2)24(30)26-15-3-4-18-17(9-15)25-6-7-27-12-14-5-8-31-19-11-21(29)28(18)23(25)22(19)16(14)10-20(25)27/h3-5,9,13,16,19-20,22-23H,6-8,10-12H2,1-2H3,(H,26,30)/t16-,19-,20-,22-,23-,25?/m0/s1
InChIKey
ACCZNCNBCURTLG-UOCVMDQESA-N
Compound name
N-[(4aR,5aS,13aS,15aS,15bR)-14-oxo-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-10-yl]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.2209 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.228176 197.3
[M+Na]+ 442.210118 201.0
[M-H]- 418.213624 200.7
[M+NH4]+ 437.254723 214.0
[M+K]+ 458.184058 196.3
[M+H-H2O]+ 402.218160 189.5
[M+HCOO]- 464.219101 199.9
[M+CH3COO]- 478.234751 203.2
[M+Na-2H]- 440.195566 196.2
[M]+ 419.22035142 194.7
[M]- 419.22144858 194.7
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.