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

28
Patents

241.1215 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.12878 156.0
[M+Na]+ 264.11072 165.1
[M-H]- 240.11422 162.4
[M+NH4]+ 259.15532 165.1
[M+K]+ 280.08466 159.2
[M+H-H2O]+ 224.11876 146.9
[M+HCOO]- 286.11970 178.4
[M+CH3COO]- 300.13535 167.1
[M+Na-2H]- 262.09617 162.9
[M]+ 241.12095 156.7
[M]- 241.12205 156.7
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

No patent data available for this compound.