CID 477436

Siamenol

Structural Information

Molecular Formula
C18H19NO
SMILES
CC1=CC2=C(C=C1)NC3=C2C=C(C(=C3)O)CC=C(C)C
InChI
InChI=1S/C18H19NO/c1-11(2)4-6-13-9-15-14-8-12(3)5-7-16(14)19-17(15)10-18(13)20/h4-5,7-10,19-20H,6H2,1-3H3
InChIKey
BBPNJGRZPSCZBB-UHFFFAOYSA-N
Compound name
6-methyl-3-(3-methylbut-2-enyl)-9H-carbazol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

12
Patents

265.14667 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.153946 163.6
[M+Na]+ 288.135888 173.8
[M-H]- 264.139394 166.0
[M+NH4]+ 283.180493 182.4
[M+K]+ 304.109828 166.7
[M+H-H2O]+ 248.143930 157.5
[M+HCOO]- 310.144871 182.1
[M+CH3COO]- 324.160521 175.4
[M+Na-2H]- 286.121336 166.5
[M]+ 265.14612142 164.9
[M]- 265.14721858 164.9
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