CID 3054977

71861-62-6

Structural Information

Molecular Formula
C17H27N3O
SMILES
CCCC1=NC2=CC=CC=C2N1CC(CN(CC)CC)O
InChI
InChI=1S/C17H27N3O/c1-4-9-17-18-15-10-7-8-11-16(15)20(17)13-14(21)12-19(5-2)6-3/h7-8,10-11,14,21H,4-6,9,12-13H2,1-3H3
InChIKey
CZORWHFLOXPOFF-UHFFFAOYSA-N
Compound name
1-(diethylamino)-3-(2-propylbenzimidazol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

289.21542 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.22270 172.8
[M+Na]+ 312.20464 179.4
[M-H]- 288.20814 174.5
[M+NH4]+ 307.24924 188.7
[M+K]+ 328.17858 175.9
[M+H-H2O]+ 272.21268 164.3
[M+HCOO]- 334.21362 193.4
[M+CH3COO]- 348.22927 208.6
[M+Na-2H]- 310.19009 174.9
[M]+ 289.21487 177.8
[M]- 289.21597 177.8
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