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]+ 267.149176 163.4
[M+Na]+ 289.131118 174.3
[M-H]- 265.134624 164.5
[M+NH4]+ 284.175723 180.7
[M+K]+ 305.105058 166.6
[M+H-H2O]+ 249.139160 156.5
[M+HCOO]- 311.140101 181.1
[M+CH3COO]- 325.155751 174.8
[M+Na-2H]- 287.116566 166.7
[M]+ 266.14135142 164.2
[M]- 266.14244858 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.