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]+ 341.149576 178.7
[M+Na]+ 363.131518 186.8
[M-H]- 339.135024 183.4
[M+NH4]+ 358.176123 192.5
[M+K]+ 379.105458 182.7
[M+H-H2O]+ 323.139560 171.5
[M+HCOO]- 385.140501 194.4
[M+CH3COO]- 399.156151 188.9
[M+Na-2H]- 361.116966 179.2
[M]+ 340.14175142 181.2
[M]- 340.14284858 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.