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]+ 371.16014 189.3
[M+Na]+ 393.14208 197.5
[M-H]- 369.14558 197.7
[M+NH4]+ 388.18668 201.7
[M+K]+ 409.11602 201.5
[M+H-H2O]+ 353.15012 185.5
[M+HCOO]- 415.15106 207.9
[M+CH3COO]- 429.16671 228.8
[M+Na-2H]- 391.12753 191.0
[M]+ 370.15231 189.6
[M]- 370.15341 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.