CID 65305

Cephalotaxine

Structural Information

Molecular Formula
C18H21NO4
SMILES
COC1=C[C@]23CCCN2CCC4=CC5=C(C=C4[C@@H]3[C@@H]1O)OCO5
InChI
InChI=1S/C18H21NO4/c1-21-15-9-18-4-2-5-19(18)6-3-11-7-13-14(23-10-22-13)8-12(11)16(18)17(15)20/h7-9,16-17,20H,2-6,10H2,1H3/t16-,17-,18+/m1/s1
InChIKey
YMNCVRSYJBNGLD-KURKYZTESA-N
Compound name
(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

534
References

3893
Patents

315.14706 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.15434 171.4
[M+Na]+ 338.13628 179.3
[M+NH4]+ 333.18088 180.7
[M+K]+ 354.11022 179.1
[M-H]- 314.13978 175.0
[M+Na-2H]- 336.12173 171.5
[M]+ 315.14651 173.6
[M]- 315.14761 173.6
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