CID 23890

Gloriosine

Structural Information

Molecular Formula
C21H23NO6
SMILES
COC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC=O
InChI
InChI=1S/C21H23NO6/c1-25-17-8-6-13-14(10-16(17)24)15(22-11-23)7-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13/h6,8-11,15H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1
InChIKey
HDSXDWASQCHADG-HNNXBMFYSA-N
Compound name
N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]formamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

27
Patents

385.15253 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.159806 190.5
[M+Na]+ 408.141748 198.8
[M-H]- 384.145254 199.2
[M+NH4]+ 403.186353 202.8
[M+K]+ 424.115688 203.0
[M+H-H2O]+ 368.149790 187.3
[M+HCOO]- 430.150731 208.7
[M+CH3COO]- 444.166381 229.0
[M+Na-2H]- 406.127196 192.5
[M]+ 385.15198142 193.5
[M]- 385.15307858 193.5
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

patents stripe