CID 5749117

Brn 4267171

Structural Information

Molecular Formula
C20H17N3O2
SMILES
CC(C)OC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C4=CN=CC=C4
InChI
InChI=1S/C20H17N3O2/c1-12(2)25-20(24)17-10-15-14-7-3-4-8-16(14)22-19(15)18(23-17)13-6-5-9-21-11-13/h3-12,22H,1-2H3
InChIKey
APUXVBZHPLBCKW-UHFFFAOYSA-N
Compound name
propan-2-yl 1-pyridin-3-yl-9H-pyrido[3,4-b]indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.13208 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.13936 178.1
[M+Na]+ 354.12130 193.9
[M+NH4]+ 349.16590 185.5
[M+K]+ 370.09524 188.1
[M-H]- 330.12480 181.3
[M+Na-2H]- 352.10675 185.6
[M]+ 331.13153 181.3
[M]- 331.13263 181.3
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.