CID 3060022

77587-71-4

Structural Information

Molecular Formula
C16H22N4O
SMILES
CCC(CN(CC1=CNC2=CC=CC=C21)C3=NCCN3)O
InChI
InChI=1S/C16H22N4O/c1-2-13(21)11-20(16-17-7-8-18-16)10-12-9-19-15-6-4-3-5-14(12)15/h3-6,9,13,19,21H,2,7-8,10-11H2,1H3,(H,17,18)
InChIKey
VRDMVMWNEIBNGI-UHFFFAOYSA-N
Compound name
1-[4,5-dihydro-1H-imidazol-2-yl(1H-indol-3-ylmethyl)amino]butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.17935 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.186626 166.9
[M+Na]+ 309.168568 172.2
[M-H]- 285.172074 168.2
[M+NH4]+ 304.213173 181.1
[M+K]+ 325.142508 167.4
[M+H-H2O]+ 269.176610 157.9
[M+HCOO]- 331.177551 184.4
[M+CH3COO]- 345.193201 176.3
[M+Na-2H]- 307.154016 168.3
[M]+ 286.17880142 164.9
[M]- 286.17989858 164.9
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

No patent data available for this compound.