CID 372326

Nsc647384

Structural Information

Molecular Formula
C19H20N2O4
SMILES
COC(=O)C1=CC=C(O1)CN2CCC3=C(C2CO)NC4=CC=CC=C34
InChI
InChI=1S/C19H20N2O4/c1-24-19(23)17-7-6-12(25-17)10-21-9-8-14-13-4-2-3-5-15(13)20-18(14)16(21)11-22/h2-7,16,20,22H,8-11H2,1H3
InChIKey
BPRMFUNATBDYTC-UHFFFAOYSA-N
Compound name
methyl 5-[[1-(hydroxymethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methyl]furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1423 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.14958 178.7
[M+Na]+ 363.13152 186.8
[M-H]- 339.13502 183.4
[M+NH4]+ 358.17612 192.5
[M+K]+ 379.10546 182.7
[M+H-H2O]+ 323.13956 171.5
[M+HCOO]- 385.14050 194.4
[M+CH3COO]- 399.15615 188.9
[M+Na-2H]- 361.11697 179.2
[M]+ 340.14175 181.2
[M]- 340.14285 181.2
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.