CID 10430190

Thalicpureine

Structural Information

Molecular Formula
C22H27NO5
SMILES
CNCCC1=C2C=CC3=CC(=C(C=C3C2=C(C(=C1OC)OC)OC)OC)OC
InChI
InChI=1S/C22H27NO5/c1-23-10-9-15-14-8-7-13-11-17(24-2)18(25-3)12-16(13)19(14)21(27-5)22(28-6)20(15)26-4/h7-8,11-12,23H,9-10H2,1-6H3
InChIKey
VMIFHEUVQQHIOK-UHFFFAOYSA-N
Compound name
N-methyl-2-(2,3,4,6,7-pentamethoxyphenanthren-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

385.18893 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.19621 192.7
[M+Na]+ 408.17815 207.8
[M+NH4]+ 403.22275 200.0
[M+K]+ 424.15209 199.5
[M-H]- 384.18165 196.5
[M+Na-2H]- 406.16360 197.7
[M]+ 385.18838 196.1
[M]- 385.18948 196.1
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.