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

544
References

3877
Patents

315.14706 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.154336 171.3
[M+Na]+ 338.136278 178.8
[M-H]- 314.139784 179.6
[M+NH4]+ 333.180883 191.0
[M+K]+ 354.110218 177.1
[M+H-H2O]+ 298.144320 167.6
[M+HCOO]- 360.145261 184.6
[M+CH3COO]- 374.160911 182.2
[M+Na-2H]- 336.121726 171.9
[M]+ 315.14651142 170.4
[M]- 315.14760858 170.4
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