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]+ 316.17681 174.7
[M+Na]+ 338.15875 179.7
[M-H]- 314.16225 179.5
[M+NH4]+ 333.20335 185.7
[M+K]+ 354.13269 177.0
[M+H-H2O]+ 298.16679 164.0
[M+HCOO]- 360.16773 198.4
[M+CH3COO]- 374.18338 217.1
[M+Na-2H]- 336.14420 179.1
[M]+ 315.16898 175.9
[M]- 315.17008 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