CID 15767846

7-hydroxyheptaphylline

Structural Information

Molecular Formula
C18H17NO3
SMILES
CC(=CCC1=C(C(=CC2=C1NC3=C2C=CC(=C3)O)C=O)O)C
InChI
InChI=1S/C18H17NO3/c1-10(2)3-5-14-17-15(7-11(9-20)18(14)22)13-6-4-12(21)8-16(13)19-17/h3-4,6-9,19,21-22H,5H2,1-2H3
InChIKey
NRWURNOYKGONNZ-UHFFFAOYSA-N
Compound name
2,7-dihydroxy-1-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

295.12085 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.12813 169.1
[M+Na]+ 318.11007 179.5
[M-H]- 294.11357 170.4
[M+NH4]+ 313.15467 185.8
[M+K]+ 334.08401 172.5
[M+H-H2O]+ 278.11811 163.2
[M+HCOO]- 340.11905 186.4
[M+CH3COO]- 354.13470 199.3
[M+Na-2H]- 316.09552 171.0
[M]+ 295.12030 171.1
[M]- 295.12140 171.1
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