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]+ 287.18663 167.8
[M+Na]+ 309.16857 178.1
[M+NH4]+ 304.21317 174.4
[M+K]+ 325.14251 175.8
[M-H]- 285.17207 169.3
[M+Na-2H]- 307.15402 172.6
[M]+ 286.17880 169.4
[M]- 286.17990 169.4
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.