CID 164575968

6-(3-dimethylallyl)harmol

Structural Information

Molecular Formula
C17H18N2O
SMILES
CC1=C2C(=C3C=C(C(=O)C=C3N2)CC=C(C)C)C=CN1
InChI
InChI=1S/C17H18N2O/c1-10(2)4-5-12-8-14-13-6-7-18-11(3)17(13)19-15(14)9-16(12)20/h4,6-9,18-19H,5H2,1-3H3
InChIKey
UXMCXLIUFIQXEQ-UHFFFAOYSA-N
Compound name
1-methyl-6-(3-methylbut-2-enyl)-2,9-dihydropyrido[3,4-b]indol-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1419 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.14918 163.4
[M+Na]+ 289.13112 174.3
[M-H]- 265.13462 164.5
[M+NH4]+ 284.17572 180.7
[M+K]+ 305.10506 166.6
[M+H-H2O]+ 249.13916 156.5
[M+HCOO]- 311.14010 181.1
[M+CH3COO]- 325.15575 174.8
[M+Na-2H]- 287.11657 166.7
[M]+ 266.14135 164.2
[M]- 266.14245 164.2
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.