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]+ 371.19655 190.0
[M+Na]+ 393.17849 198.1
[M-H]- 369.18199 199.5
[M+NH4]+ 388.22309 203.2
[M+K]+ 409.15243 202.6
[M+H-H2O]+ 353.18653 186.4
[M+HCOO]- 415.18747 208.6
[M+CH3COO]- 429.20312 232.3
[M+Na-2H]- 391.16394 190.8
[M]+ 370.18872 191.0
[M]- 370.18982 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.