CID 453136

Aminodeacetyl-n,n-dimethylcolchicide

Structural Information

Molecular Formula
C21H26N2O4
SMILES
CN(C)C1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)N
InChI
InChI=1S/C21H26N2O4/c1-23(2)16-9-7-13-14(11-17(16)24)15(22)8-6-12-10-18(25-3)20(26-4)21(27-5)19(12)13/h7,9-11,15H,6,8,22H2,1-5H3/t15-/m0/s1
InChIKey
QLWPRMAGTWQOGJ-HNNXBMFYSA-N
Compound name
(7S)-7-amino-10-(dimethylamino)-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.18927 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.196546 190.0
[M+Na]+ 393.178488 198.1
[M-H]- 369.181994 199.5
[M+NH4]+ 388.223093 203.2
[M+K]+ 409.152428 202.6
[M+H-H2O]+ 353.186530 186.4
[M+HCOO]- 415.187471 208.6
[M+CH3COO]- 429.203121 232.3
[M+Na-2H]- 391.163936 190.8
[M]+ 370.18872142 191.0
[M]- 370.18981858 191.0
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.