CID 3070455

N-formyldeacetylcolchiceinamide

Structural Information

Molecular Formula
C20H22N2O5
SMILES
COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)N)NC=O)OC)OC
InChI
InChI=1S/C20H22N2O5/c1-25-17-8-11-4-7-15(22-10-23)13-9-16(24)14(21)6-5-12(13)18(11)20(27-3)19(17)26-2/h5-6,8-10,15H,4,7H2,1-3H3,(H2,21,24)(H,22,23)/t15-/m0/s1
InChIKey
MGWXNPODOCLRNO-HNNXBMFYSA-N
Compound name
N-[(7S)-10-amino-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.15286 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.160136 189.3
[M+Na]+ 393.142078 197.5
[M-H]- 369.145584 197.7
[M+NH4]+ 388.186683 201.7
[M+K]+ 409.116018 201.5
[M+H-H2O]+ 353.150120 185.5
[M+HCOO]- 415.151061 207.9
[M+CH3COO]- 429.166711 228.8
[M+Na-2H]- 391.127526 191.0
[M]+ 370.15231142 189.6
[M]- 370.15340858 189.6
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.