CID 9975970

Murrayanol

Structural Information

Molecular Formula
C24H29NO2
SMILES
CC1=CC2=C(C=C1OC)NC3=C2C=CC(=C3C/C=C(\C)/CCC=C(C)C)O
InChI
InChI=1S/C24H29NO2/c1-15(2)7-6-8-16(3)9-10-19-22(26)12-11-18-20-13-17(4)23(27-5)14-21(20)25-24(18)19/h7,9,11-14,25-26H,6,8,10H2,1-5H3/b16-9+
InChIKey
RTEIBQDXHHQYRJ-CXUHLZMHSA-N
Compound name
1-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-methoxy-6-methyl-9H-carbazol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

363.21982 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.227096 194.0
[M+Na]+ 386.209038 202.0
[M-H]- 362.212544 195.6
[M+NH4]+ 381.253643 208.6
[M+K]+ 402.182978 194.3
[M+H-H2O]+ 346.217080 186.9
[M+HCOO]- 408.218021 209.5
[M+CH3COO]- 422.233671 217.4
[M+Na-2H]- 384.194486 191.7
[M]+ 363.21927142 197.5
[M]- 363.22036858 197.5
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