CID 3087464

Brn 5587589

Structural Information

Molecular Formula

C₁₅H₁₆N₄O

SMILES

CC1=NC2=C(C(=N1)NCCO)NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C15H16N4O/c1-10-17-13-9-12(11-5-3-2-4-6-11)19-14(13)15(18-10)16-7-8-20/h2-6,9,19-20H,7-8H2,1H3,(H,16,17,18)

InChIKey

UJMZTUYPZBPKJJ-UHFFFAOYSA-N

Compound name

2-[(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 268.13242 Da
Monoisotopic Mass: 2.1
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]+	269.139696	160.7
[M+Na]+	291.121638	170.3
[M-H]-	267.125144	162.7
[M+NH4]+	286.166243	174.6
[M+K]+	307.095578	163.5
[M+H-H2O]+	251.129680	151.7
[M+HCOO]-	313.130621	181.1
[M+CH3COO]-	327.146271	171.7
[M+Na-2H]-	289.107086	167.2
[M]+	268.13187142	161.0
[M]-	268.13296858	161.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.