CID 3055415

Brn 5592154

Structural Information

Molecular Formula
C16H21N5O2
SMILES
CN(CCNC(=O)C1=CN=C(N=C1OC)N)CC2=CC=CC=C2
InChI
InChI=1S/C16H21N5O2/c1-21(11-12-6-4-3-5-7-12)9-8-18-14(22)13-10-19-16(17)20-15(13)23-2/h3-7,10H,8-9,11H2,1-2H3,(H,18,22)(H2,17,19,20)
InChIKey
HQCJGVOODMEERG-UHFFFAOYSA-N
Compound name
2-amino-N-[2-[benzyl(methyl)amino]ethyl]-4-methoxypyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

315.16953 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.176806 174.7
[M+Na]+ 338.158748 179.7
[M-H]- 314.162254 179.5
[M+NH4]+ 333.203353 185.7
[M+K]+ 354.132688 177.0
[M+H-H2O]+ 298.166790 164.0
[M+HCOO]- 360.167731 198.4
[M+CH3COO]- 374.183381 217.1
[M+Na-2H]- 336.144196 179.1
[M]+ 315.16898142 175.9
[M]- 315.17007858 175.9
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

patents stripe