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

16
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

literature stripe

Patent stripe

patents stripe