CID 49766966

(1-methyl-9h-pyrido[3,4-b]indol-7-yl) heptanoate

Structural Information

Molecular Formula
C19H22N2O2
SMILES
CCCCCCC(=O)OC1=CC2=C(C=C1)C3=C(N2)C(=NC=C3)C
InChI
InChI=1S/C19H22N2O2/c1-3-4-5-6-7-18(22)23-14-8-9-15-16-10-11-20-13(2)19(16)21-17(15)12-14/h8-12,21H,3-7H2,1-2H3
InChIKey
QCGDJNBWULOCGD-UHFFFAOYSA-N
Compound name
(1-methyl-9H-pyrido[3,4-b]indol-7-yl) heptanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.16812 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17540 176.1
[M+Na]+ 333.15734 185.0
[M-H]- 309.16084 177.7
[M+NH4]+ 328.20194 191.8
[M+K]+ 349.13128 179.0
[M+H-H2O]+ 293.16538 167.9
[M+HCOO]- 355.16632 194.5
[M+CH3COO]- 369.18197 205.7
[M+Na-2H]- 331.14279 179.5
[M]+ 310.16757 180.9
[M]- 310.16867 180.9
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.