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]+ 329.197176 181.8
[M+Na]+ 351.179118 188.4
[M-H]- 327.182624 185.0
[M+NH4]+ 346.223723 192.3
[M+K]+ 367.153058 183.6
[M+H-H2O]+ 311.187160 171.7
[M+HCOO]- 373.188101 202.5
[M+CH3COO]- 387.203751 217.2
[M+Na-2H]- 349.164566 182.6
[M]+ 328.18935142 183.0
[M]- 328.19044858 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.