CID 3018455

73734-07-3

Structural Information

Molecular Formula
C15H20N4O2
SMILES
CCOC(=O)N1CCC(CC1)NC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C15H20N4O2/c1-2-21-15(20)19-9-7-11(8-10-19)16-14-17-12-5-3-4-6-13(12)18-14/h3-6,11H,2,7-10H2,1H3,(H2,16,17,18)
InChIKey
IMLIPHSGYFXWAA-UHFFFAOYSA-N
Compound name
ethyl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

288.15863 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.165906 166.4
[M+Na]+ 311.147848 172.2
[M-H]- 287.151354 168.3
[M+NH4]+ 306.192453 179.5
[M+K]+ 327.121788 167.6
[M+H-H2O]+ 271.155890 156.7
[M+HCOO]- 333.156831 183.3
[M+CH3COO]- 347.172481 175.9
[M+Na-2H]- 309.133296 169.9
[M]+ 288.15808142 163.7
[M]- 288.15917858 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

patents stripe