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]+ 261.123376 159.0
[M+Na]+ 283.105318 168.1
[M-H]- 259.108824 160.7
[M+NH4]+ 278.149923 178.5
[M+K]+ 299.079258 164.5
[M+H-H2O]+ 243.113360 152.1
[M+HCOO]- 305.114301 175.0
[M+CH3COO]- 319.129951 193.5
[M+Na-2H]- 281.090766 163.4
[M]+ 260.11555142 159.7
[M]- 260.11664858 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.