CID 9929033

Bimu-1

Structural Information

Molecular Formula
C18H24N4O2
SMILES
CCN1C2=CC=CC=C2N(C1=O)C(=O)NC3C[C@@H]4CCC(C3)N4C
InChI
InChI=1S/C18H24N4O2/c1-3-21-15-6-4-5-7-16(15)22(18(21)24)17(23)19-12-10-13-8-9-14(11-12)20(13)2/h4-7,12-14H,3,8-11H2,1-2H3,(H,19,23)/t12?,13-,14?/m0/s1
InChIKey
MZRKHUUDDHJVHS-MOKVOYLWSA-N
Compound name
3-ethyl-N-[(5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxobenzimidazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

27
References

425
Patents

328.1899 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.197176 178.8
[M+Na]+ 351.179118 187.0
[M-H]- 327.182624 182.5
[M+NH4]+ 346.223723 195.1
[M+K]+ 367.153058 181.9
[M+H-H2O]+ 311.187160 170.4
[M+HCOO]- 373.188101 195.1
[M+CH3COO]- 387.203751 188.8
[M+Na-2H]- 349.164566 178.6
[M]+ 328.18935142 179.6
[M]- 328.19044858 179.6
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