CID 202978

Brn 0657319

Structural Information

Molecular Formula
C14H18N2O
SMILES
CC1(CNCC2=C1C3=C(N2)C=CC(=C3)OC)C
InChI
InChI=1S/C14H18N2O/c1-14(2)8-15-7-12-13(14)10-6-9(17-3)4-5-11(10)16-12/h4-6,15-16H,7-8H2,1-3H3
InChIKey
LNXGEZTVGYKWLB-UHFFFAOYSA-N
Compound name
6-methoxy-4,4-dimethyl-1,2,3,9-tetrahydropyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

230.1419 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.14918 153.3
[M+Na]+ 253.13112 163.3
[M-H]- 229.13462 153.9
[M+NH4]+ 248.17572 173.8
[M+K]+ 269.10506 157.5
[M+H-H2O]+ 213.13916 146.6
[M+HCOO]- 275.14010 169.8
[M+CH3COO]- 289.15575 165.0
[M+Na-2H]- 251.11657 159.1
[M]+ 230.14135 152.1
[M]- 230.14245 152.1
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.