CID 126838264

2094920-12-2

Structural Information

Molecular Formula
C17H24N4O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=NC3=C(N2)C=C(C=C3)N
InChI
InChI=1S/C17H24N4O2/c1-17(2,3)23-16(22)21-8-6-11(7-9-21)15-19-13-5-4-12(18)10-14(13)20-15/h4-5,10-11H,6-9,18H2,1-3H3,(H,19,20)
InChIKey
TWNXYYYWFQSZCH-UHFFFAOYSA-N
Compound name
tert-butyl 4-(6-amino-1H-benzimidazol-2-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

316.1899 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.19718 178.2
[M+Na]+ 339.17912 184.6
[M-H]- 315.18262 180.2
[M+NH4]+ 334.22372 190.5
[M+K]+ 355.15306 179.8
[M+H-H2O]+ 299.18716 169.5
[M+HCOO]- 361.18810 192.2
[M+CH3COO]- 375.20375 205.5
[M+Na-2H]- 337.16457 179.8
[M]+ 316.18935 175.1
[M]- 316.19045 175.1
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