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
4
Annotation Hits

0
References

534
Patents

255.14839 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.155666 161.9
[M+Na]+ 278.137608 173.6
[M-H]- 254.141114 162.9
[M+NH4]+ 273.182213 177.7
[M+K]+ 294.111548 168.1
[M+H-H2O]+ 238.145650 153.0
[M+HCOO]- 300.146591 180.7
[M+CH3COO]- 314.162241 173.6
[M+Na-2H]- 276.123056 167.1
[M]+ 255.14784142 164.7
[M]- 255.14893858 164.7
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