CID 9942845

Epetirimod

Structural Information

Molecular Formula

C₁₃H₁₅N₅

SMILES

CC(C)CN1C=NC2=C1C3=C(C=CC=N3)N=C2N

InChI

InChI=1S/C13H15N5/c1-8(2)6-18-7-16-11-12(18)10-9(17-13(11)14)4-3-5-15-10/h3-5,7-8H,6H2,1-2H3,(H2,14,17)

InChIKey

UCPMSMNKGXUFCC-UHFFFAOYSA-N

Compound name

1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 422
Patents: 241.13275 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	242.140026	156.3
[M+Na]+	264.121968	167.6
[M-H]-	240.125474	157.0
[M+NH4]+	259.166573	172.4
[M+K]+	280.095908	162.3
[M+H-H2O]+	224.130010	147.3
[M+HCOO]-	286.130951	175.5
[M+CH3COO]-	300.146601	168.1
[M+Na-2H]-	262.107416	162.9
[M]+	241.13220142	158.4
[M]-	241.13329858	158.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe