CID 46701178

Bliretrigine

Structural Information

Molecular Formula
C20H24N4O2
SMILES
CCN1C2=C(C=CC(=C2)OC3=CC=C(C=C3)C)N=C1CN[C@@H](C)C(=O)N
InChI
InChI=1S/C20H24N4O2/c1-4-24-18-11-16(26-15-7-5-13(2)6-8-15)9-10-17(18)23-19(24)12-22-14(3)20(21)25/h5-11,14,22H,4,12H2,1-3H3,(H2,21,25)/t14-/m0/s1
InChIKey
ZYUAASICHDTDEK-AWEZNQCLSA-N
Compound name
(2S)-2-[[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]methylamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

352.1899 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.197176 185.7
[M+Na]+ 375.179118 193.2
[M-H]- 351.182624 191.0
[M+NH4]+ 370.223723 198.2
[M+K]+ 391.153058 188.3
[M+H-H2O]+ 335.187160 176.1
[M+HCOO]- 397.188101 207.4
[M+CH3COO]- 411.203751 221.7
[M+Na-2H]- 373.164566 187.1
[M]+ 352.18935142 189.0
[M]- 352.19044858 189.0
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

patents stripe