CID 478880

Isonaamine b

Structural Information

Molecular Formula

C₁₉H₂₁N₃O₂

SMILES

CN1C(=CN(C1=N)CC2=CC=C(C=C2)O)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C19H21N3O2/c1-21-16(11-14-5-9-18(24-2)10-6-14)13-22(19(21)20)12-15-3-7-17(23)8-4-15/h3-10,13,20,23H,11-12H2,1-2H3

InChIKey

JIBAGYXFZSHPGG-UHFFFAOYSA-N

Compound name

4-[[2-imino-4-[(4-methoxyphenyl)methyl]-3-methylimidazol-1-yl]methyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 323.1634 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	324.170676	176.9
[M+Na]+	346.152618	185.9
[M-H]-	322.156124	183.8
[M+NH4]+	341.197223	189.5
[M+K]+	362.126558	179.6
[M+H-H2O]+	306.160660	167.2
[M+HCOO]-	368.161601	199.1
[M+CH3COO]-	382.177251	209.9
[M+Na-2H]-	344.138066	178.5
[M]+	323.16285142	178.5
[M]-	323.16394858	178.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.