CID 3049366

Brn 0833205

Structural Information

Molecular Formula
C18H24N4O2
SMILES
CCCCOC1=CC=C(C=C1)CC2=NC(=C(C(=N2)N)CC(=O)N)C
InChI
InChI=1S/C18H24N4O2/c1-3-4-9-24-14-7-5-13(6-8-14)10-17-21-12(2)15(11-16(19)23)18(20)22-17/h5-8H,3-4,9-11H2,1-2H3,(H2,19,23)(H2,20,21,22)
InChIKey
KURJVMCCWAJNKN-UHFFFAOYSA-N
Compound name
2-[4-amino-2-[(4-butoxyphenyl)methyl]-6-methylpyrimidin-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.1899 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.19718 181.8
[M+Na]+ 351.17912 188.4
[M-H]- 327.18262 185.0
[M+NH4]+ 346.22372 192.3
[M+K]+ 367.15306 183.6
[M+H-H2O]+ 311.18716 171.7
[M+HCOO]- 373.18810 202.5
[M+CH3COO]- 387.20375 217.2
[M+Na-2H]- 349.16457 182.6
[M]+ 328.18935 183.0
[M]- 328.19045 183.0
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.