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 161.4
[M+Na]+ 327.09832 167.4
[M-H]- 303.10182 157.3
[M+NH4]+ 322.14292 179.3
[M+K]+ 343.07226 161.4
[M+H-H2O]+ 287.10636 154.0
[M+HCOO]- 349.10730 165.6
[M+CH3COO]- 363.12295 169.5
[M+Na-2H]- 325.08377 170.2
[M]+ 304.10855 163.3
[M]- 304.10965 163.3
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.