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 192.5
[M+Na]+ 408.17815 202.3
[M-H]- 384.18165 198.8
[M+NH4]+ 403.22275 207.0
[M+K]+ 424.15209 199.7
[M+H-H2O]+ 368.18619 183.6
[M+HCOO]- 430.18713 215.1
[M+CH3COO]- 444.20278 229.0
[M+Na-2H]- 406.16360 196.6
[M]+ 385.18838 204.8
[M]- 385.18948 204.8
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.