CID 23759

N-methylcolchamine

Structural Information

Molecular Formula
C22H27NO5
SMILES
CN(C)[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
InChI
InChI=1S/C22H27NO5/c1-23(2)16-9-7-13-11-19(26-4)21(27-5)22(28-6)20(13)14-8-10-18(25-3)17(24)12-15(14)16/h8,10-12,16H,7,9H2,1-6H3/t16-/m0/s1
InChIKey
NDKXARFZWSQXGE-INIZCTEOSA-N
Compound name
(7S)-7-(dimethylamino)-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

385.18893 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.19621 191.1
[M+Na]+ 408.17815 199.3
[M-H]- 384.18165 200.8
[M+NH4]+ 403.22275 204.1
[M+K]+ 424.15209 203.9
[M+H-H2O]+ 368.18619 188.0
[M+HCOO]- 430.18713 209.2
[M+CH3COO]- 444.20278 232.6
[M+Na-2H]- 406.16360 192.1
[M]+ 385.18838 194.8
[M]- 385.18948 194.8
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.