CID 6450818

Sotirimod

Structural Information

Molecular Formula
C14H17N5
SMILES
CC1=NC2=C(N1CC(C)C)C3=C(C=CC=N3)N=C2N
InChI
InChI=1S/C14H17N5/c1-8(2)7-19-9(3)17-12-13(19)11-10(18-14(12)15)5-4-6-16-11/h4-6,8H,7H2,1-3H3,(H2,15,18)
InChIKey
ZXBCLVSLRUWISJ-UHFFFAOYSA-N
Compound name
2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

537
Patents

255.14839 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15567 159.4
[M+Na]+ 278.13761 173.9
[M+NH4]+ 273.18221 167.0
[M+K]+ 294.11155 168.9
[M-H]- 254.14111 161.0
[M+Na-2H]- 276.12306 164.8
[M]+ 255.14784 161.9
[M]- 255.14894 161.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe