CID 1235484

Ucm 17197

Structural Information

Molecular Formula
C15H17ClN4O
SMILES
C1CN2CCC1[C@@H](C2)NC(=O)C3=C4C(=CC(=C3)Cl)NC=N4
InChI
InChI=1S/C15H17ClN4O/c16-10-5-11(14-12(6-10)17-8-18-14)15(21)19-13-7-20-3-1-9(13)2-4-20/h5-6,8-9,13H,1-4,7H2,(H,17,18)(H,19,21)/t13-/m1/s1
InChIKey
ZSVQUSFCJUITKQ-CYBMUJFWSA-N
Compound name
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-chloro-1H-benzimidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.1091 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.11638 162.1
[M+Na]+ 327.09832 174.2
[M+NH4]+ 322.14292 171.8
[M+K]+ 343.07226 168.2
[M-H]- 303.10182 161.4
[M+Na-2H]- 325.08377 161.3
[M]+ 304.10855 163.7
[M]- 304.10965 163.7
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

No patent data available for this compound.