CID 57418123

204571-52-8

Structural Information

Molecular Formula
C14H17N3O
SMILES
CC1=CC(=NC(=N1)NC2=CC=CC=C2)CC(C)O
InChI
InChI=1S/C14H17N3O/c1-10-8-13(9-11(2)18)17-14(15-10)16-12-6-4-3-5-7-12/h3-8,11,18H,9H2,1-2H3,(H,15,16,17)
InChIKey
OMAYAFSHSPPBTA-UHFFFAOYSA-N
Compound name
1-(2-anilino-6-methylpyrimidin-4-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

243.13716 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.14444 156.8
[M+Na]+ 266.12638 163.7
[M-H]- 242.12988 159.6
[M+NH4]+ 261.17098 170.5
[M+K]+ 282.10032 159.4
[M+H-H2O]+ 226.13442 147.8
[M+HCOO]- 288.13536 177.2
[M+CH3COO]- 302.15101 194.9
[M+Na-2H]- 264.11183 162.3
[M]+ 243.13661 155.9
[M]- 243.13771 155.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe