CID 92765

Cryptopleurine

Structural Information

Molecular Formula
C24H27NO3
SMILES
COC1=CC2=C(C=C1)C3=C(C[C@H]4CCCCN4C3)C5=CC(=C(C=C52)OC)OC
InChI
InChI=1S/C24H27NO3/c1-26-16-7-8-17-19(11-16)21-13-24(28-3)23(27-2)12-20(21)18-10-15-6-4-5-9-25(15)14-22(17)18/h7-8,11-13,15H,4-6,9-10,14H2,1-3H3/t15-/m1/s1
InChIKey
RSHYSOGXGSUUIJ-OAHLLOKOSA-N
Compound name
(14aR)-2,3,6-trimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

33
References

71
Patents

377.1991 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.20638 191.1
[M+Na]+ 400.18832 198.4
[M-H]- 376.19182 195.7
[M+NH4]+ 395.23292 205.4
[M+K]+ 416.16226 192.7
[M+H-H2O]+ 360.19636 179.9
[M+HCOO]- 422.19730 203.4
[M+CH3COO]- 436.21295 199.8
[M+Na-2H]- 398.17377 195.5
[M]+ 377.19855 192.7
[M]- 377.19965 192.7
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