CID 368401

Nsc639395

Structural Information

Molecular Formula
C14H16N2O3
SMILES
CN1CCC2C1=NC3=CC=CC=C3C2(C(=O)OC)O
InChI
InChI=1S/C14H16N2O3/c1-16-8-7-10-12(16)15-11-6-4-3-5-9(11)14(10,18)13(17)19-2/h3-6,10,18H,7-8H2,1-2H3
InChIKey
WESWVYGRSHTJGF-UHFFFAOYSA-N
Compound name
methyl 4-hydroxy-1-methyl-3,3a-dihydro-2H-pyrrolo[2,3-b]quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1161 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.12338 159.0
[M+Na]+ 283.10532 168.1
[M-H]- 259.10882 160.7
[M+NH4]+ 278.14992 178.5
[M+K]+ 299.07926 164.5
[M+H-H2O]+ 243.11336 152.1
[M+HCOO]- 305.11430 175.0
[M+CH3COO]- 319.12995 193.5
[M+Na-2H]- 281.09077 163.4
[M]+ 260.11555 159.7
[M]- 260.11665 159.7
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.