CID 423097

94135-47-4

Structural Information

Molecular Formula
C15H18N2O2
SMILES
CCOC(=O)CC1C2=C(CCN1)C3=CC=CC=C3N2
InChI
InChI=1S/C15H18N2O2/c1-2-19-14(18)9-13-15-11(7-8-16-13)10-5-3-4-6-12(10)17-15/h3-6,13,16-17H,2,7-9H2,1H3
InChIKey
YXFXKGBICGUOJR-UHFFFAOYSA-N
Compound name
ethyl 2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

258.13684 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.144116 159.6
[M+Na]+ 281.126058 167.0
[M-H]- 257.129564 159.4
[M+NH4]+ 276.170663 176.3
[M+K]+ 297.099998 161.4
[M+H-H2O]+ 241.134100 152.2
[M+HCOO]- 303.135041 175.1
[M+CH3COO]- 317.150691 169.9
[M+Na-2H]- 279.111506 163.6
[M]+ 258.13629142 158.1
[M]- 258.13738858 158.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe