CID 3060024

3-(n-(2-imidazolin-2-yl)-n-(2-methyl-3-indolylmethyl)amino)-1-propanol hydriodide

Structural Information

Molecular Formula
C16H22N4O
SMILES
CC1=C(C2=CC=CC=C2N1)CN(CCCO)C3=NCCN3
InChI
InChI=1S/C16H22N4O/c1-12-14(13-5-2-3-6-15(13)19-12)11-20(9-4-10-21)16-17-7-8-18-16/h2-3,5-6,19,21H,4,7-11H2,1H3,(H,17,18)
InChIKey
XVVYYWIUIALQDK-UHFFFAOYSA-N
Compound name
3-[4,5-dihydro-1H-imidazol-2-yl-[(2-methyl-1H-indol-3-yl)methyl]amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.17935 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.186626 167.0
[M+Na]+ 309.168568 173.6
[M-H]- 285.172074 168.5
[M+NH4]+ 304.213173 181.7
[M+K]+ 325.142508 168.2
[M+H-H2O]+ 269.176610 158.2
[M+HCOO]- 331.177551 185.5
[M+CH3COO]- 345.193201 176.9
[M+Na-2H]- 307.154016 168.8
[M]+ 286.17880142 166.0
[M]- 286.17989858 166.0
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.