CID 42102

3-(imidazoline-2'-methyl)-5-methoxyindole nitrate

Structural Information

Molecular Formula
C13H15N3O
SMILES
COC1=CC2=C(C=C1)NC=C2CC3=NCCN3
InChI
InChI=1S/C13H15N3O/c1-17-10-2-3-12-11(7-10)9(8-16-12)6-13-14-4-5-15-13/h2-3,7-8,16H,4-6H2,1H3,(H,14,15)
InChIKey
VGBNXQBYGCVRKZ-UHFFFAOYSA-N
Compound name
3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5-methoxy-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

229.1215 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.12878 151.4
[M+Na]+ 252.11072 163.9
[M+NH4]+ 247.15532 159.1
[M+K]+ 268.08466 161.0
[M-H]- 228.11422 152.9
[M+Na-2H]- 250.09617 157.5
[M]+ 229.12095 153.4
[M]- 229.12205 153.4
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

patents stripe