CID 3070448

N-propionyldeactylcolchicine

Structural Information

Molecular Formula
C23H27NO6
SMILES
CCC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
InChI
InChI=1S/C23H27NO6/c1-6-20(26)24-16-9-7-13-11-19(28-3)22(29-4)23(30-5)21(13)14-8-10-18(27-2)17(25)12-15(14)16/h8,10-12,16H,6-7,9H2,1-5H3,(H,24,26)/t16-/m0/s1
InChIKey
PVLYMGYXGFBEJB-INIZCTEOSA-N
Compound name
N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

413.18384 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.19112 197.4
[M+Na]+ 436.17306 204.9
[M-H]- 412.17656 205.8
[M+NH4]+ 431.21766 208.8
[M+K]+ 452.14700 209.3
[M+H-H2O]+ 396.18110 194.1
[M+HCOO]- 458.18204 214.3
[M+CH3COO]- 472.19769 233.8
[M+Na-2H]- 434.15851 197.7
[M]+ 413.18329 200.4
[M]- 413.18439 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

literature stripe

Patent stripe

No patent data available for this compound.