CID 19874094

121552-66-7

Structural Information

Molecular Formula

C₁₄H₁₅N₃O

SMILES

C1CC1C2=NC(=NC(=C2)CO)NC3=CC=CC=C3

InChI

InChI=1S/C14H15N3O/c18-9-12-8-13(10-6-7-10)17-14(16-12)15-11-4-2-1-3-5-11/h1-5,8,10,18H,6-7,9H2,(H,15,16,17)

InChIKey

KWORTNPHVKWENH-UHFFFAOYSA-N

Compound name

(2-anilino-6-cyclopropylpyrimidin-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 13
Patents: 241.1215 Da
Monoisotopic Mass: 1.8
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]+	242.12878	157.5
[M+Na]+	264.11072	173.0
[M+NH4]+	259.15532	166.1
[M+K]+	280.08466	166.8
[M-H]-	240.11422	169.3
[M+Na-2H]-	262.09617	169.7
[M]+	241.12095	164.2
[M]-	241.12205	164.2

Literature stripe

literature stripe

Patent stripe

patents stripe