CID 372201

Nsc647152

Structural Information

Molecular Formula
C18H22N2O2
SMILES
CCOC(=O)C(CC=C)C1C2=C(CCN1)C3=CC=CC=C3N2
InChI
InChI=1S/C18H22N2O2/c1-3-7-14(18(21)22-4-2)16-17-13(10-11-19-16)12-8-5-6-9-15(12)20-17/h3,5-6,8-9,14,16,19-20H,1,4,7,10-11H2,2H3
InChIKey
APLZJACJVDOPLV-UHFFFAOYSA-N
Compound name
ethyl 2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pent-4-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.16812 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.17540 172.7
[M+Na]+ 321.15734 178.6
[M-H]- 297.16084 172.0
[M+NH4]+ 316.20194 187.5
[M+K]+ 337.13128 172.3
[M+H-H2O]+ 281.16538 165.0
[M+HCOO]- 343.16632 186.2
[M+CH3COO]- 357.18197 200.0
[M+Na-2H]- 319.14279 173.8
[M]+ 298.16757 170.8
[M]- 298.16867 170.8
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

No patent data available for this compound.