CID 5318015

Heptaphylline

Structural Information

Molecular Formula
C18H17NO2
SMILES
CC(=CCC1=C(C(=CC2=C1NC3=CC=CC=C32)C=O)O)C
InChI
InChI=1S/C18H17NO2/c1-11(2)7-8-14-17-15(9-12(10-20)18(14)21)13-5-3-4-6-16(13)19-17/h3-7,9-10,19,21H,8H2,1-2H3
InChIKey
ICYHRFZZQCYWNF-UHFFFAOYSA-N
Compound name
2-hydroxy-1-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

13
Patents

279.12592 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13320 165.7
[M+Na]+ 302.11514 179.7
[M+NH4]+ 297.15974 173.5
[M+K]+ 318.08908 173.8
[M-H]- 278.11864 167.1
[M+Na-2H]- 300.10059 169.9
[M]+ 279.12537 168.0
[M]- 279.12647 168.0
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