CID 16727956

(9-heptyl-4-methoxy-2-methyl-carbazol-3-yl)methanol

Structural Information

Molecular Formula
C22H29NO2
SMILES
CCCCCCCN1C2=CC=CC=C2C3=C1C=C(C(=C3OC)CO)C
InChI
InChI=1S/C22H29NO2/c1-4-5-6-7-10-13-23-19-12-9-8-11-17(19)21-20(23)14-16(2)18(15-24)22(21)25-3/h8-9,11-12,14,24H,4-7,10,13,15H2,1-3H3
InChIKey
HPHNHOGRFXGESX-UHFFFAOYSA-N
Compound name
(9-heptyl-4-methoxy-2-methylcarbazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.21982 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.22710 186.3
[M+Na]+ 362.20904 195.6
[M-H]- 338.21254 189.3
[M+NH4]+ 357.25364 202.8
[M+K]+ 378.18298 189.2
[M+H-H2O]+ 322.21708 178.7
[M+HCOO]- 384.21802 205.7
[M+CH3COO]- 398.23367 214.9
[M+Na-2H]- 360.19449 187.8
[M]+ 339.21927 193.8
[M]- 339.22037 193.8
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

No patent data available for this compound.