CID 2687

Cgp 12177

Structural Information

Molecular Formula
C14H21N3O3
SMILES
CC(C)(C)NCC(COC1=CC=CC2=C1NC(=O)N2)O
InChI
InChI=1S/C14H21N3O3/c1-14(2,3)15-7-9(18)8-20-11-6-4-5-10-12(11)17-13(19)16-10/h4-6,9,15,18H,7-8H2,1-3H3,(H2,16,17,19)
InChIKey
UMQUQWCJKFOUGV-UHFFFAOYSA-N
Compound name
4-[3-(tert-butylamino)-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

577
References

1785
Patents

279.1583 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.16558 164.2
[M+Na]+ 302.14752 173.1
[M+NH4]+ 297.19212 168.9
[M+K]+ 318.12146 171.4
[M-H]- 278.15102 162.3
[M+Na-2H]- 300.13297 166.7
[M]+ 279.15775 164.5
[M]- 279.15885 164.5
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