CID 3049365

Brn 0830546

Structural Information

Molecular Formula
C17H22N4O2
SMILES
CC1=C(C(=NC(=N1)CC2=CC=C(C=C2)OC(C)C)N)CC(=O)N
InChI
InChI=1S/C17H22N4O2/c1-10(2)23-13-6-4-12(5-7-13)8-16-20-11(3)14(9-15(18)22)17(19)21-16/h4-7,10H,8-9H2,1-3H3,(H2,18,22)(H2,19,20,21)
InChIKey
UDJGKGGFVWGZBH-UHFFFAOYSA-N
Compound name
2-[4-amino-6-methyl-2-[(4-propan-2-yloxyphenyl)methyl]pyrimidin-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1743 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.18158 177.6
[M+Na]+ 337.16352 184.5
[M-H]- 313.16702 181.2
[M+NH4]+ 332.20812 188.6
[M+K]+ 353.13746 180.4
[M+H-H2O]+ 297.17156 168.0
[M+HCOO]- 359.17250 197.7
[M+CH3COO]- 373.18815 215.1
[M+Na-2H]- 335.14897 177.7
[M]+ 314.17375 177.9
[M]- 314.17485 177.9
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.