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 167.0
[M+Na]+ 309.16857 173.6
[M-H]- 285.17207 168.5
[M+NH4]+ 304.21317 181.7
[M+K]+ 325.14251 168.2
[M+H-H2O]+ 269.17661 158.2
[M+HCOO]- 331.17755 185.5
[M+CH3COO]- 345.19320 176.9
[M+Na-2H]- 307.15402 168.8
[M]+ 286.17880 166.0
[M]- 286.17990 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.