CID 639288

Antofine

Structural Information

Molecular Formula
C23H25NO3
SMILES
COC1=CC2=C(C=C1)C3=C(C[C@H]4CCCN4C3)C5=CC(=C(C=C52)OC)OC
InChI
InChI=1S/C23H25NO3/c1-25-15-6-7-16-18(10-15)20-12-23(27-3)22(26-2)11-19(20)17-9-14-5-4-8-24(14)13-21(16)17/h6-7,10-12,14H,4-5,8-9,13H2,1-3H3/t14-/m1/s1
InChIKey
NCVWJDISIZHFQS-CQSZACIVSA-N
Compound name
(13aR)-2,3,6-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

55
References

263
Patents

363.18344 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.19072 187.4
[M+Na]+ 386.17266 196.4
[M-H]- 362.17616 193.1
[M+NH4]+ 381.21726 204.7
[M+K]+ 402.14660 190.6
[M+H-H2O]+ 346.18070 178.2
[M+HCOO]- 408.18164 202.7
[M+CH3COO]- 422.19729 197.6
[M+Na-2H]- 384.15811 190.4
[M]+ 363.18289 191.4
[M]- 363.18399 191.4
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