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
2
Annotation Hits

0
References

36
Patents

352.1899 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.19718 185.7
[M+Na]+ 375.17912 193.2
[M-H]- 351.18262 191.0
[M+NH4]+ 370.22372 198.2
[M+K]+ 391.15306 188.3
[M+H-H2O]+ 335.18716 176.1
[M+HCOO]- 397.18810 207.4
[M+CH3COO]- 411.20375 221.7
[M+Na-2H]- 373.16457 187.1
[M]+ 352.18935 189.0
[M]- 352.19045 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

No patent data available for this compound.