CID 102219164

Murrayacinine

Structural Information

Molecular Formula
C23H23NO2
SMILES
CC(=CCCC1(C=CC2=C(O1)C(=CC3=C2NC4=CC=CC=C43)C=O)C)C
InChI
InChI=1S/C23H23NO2/c1-15(2)7-6-11-23(3)12-10-18-21-19(13-16(14-25)22(18)26-23)17-8-4-5-9-20(17)24-21/h4-5,7-10,12-14,24H,6,11H2,1-3H3
InChIKey
VEZSSHVWEILOAM-UHFFFAOYSA-N
Compound name
3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

345.17288 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.18016 185.8
[M+Na]+ 368.16210 195.7
[M-H]- 344.16560 190.4
[M+NH4]+ 363.20670 203.1
[M+K]+ 384.13604 189.0
[M+H-H2O]+ 328.17014 177.9
[M+HCOO]- 390.17108 201.5
[M+CH3COO]- 404.18673 196.3
[M+Na-2H]- 366.14755 189.6
[M]+ 345.17233 189.2
[M]- 345.17343 189.2
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