CID 3055434

Brn 5556293

Structural Information

Molecular Formula
C12H21N5O2
SMILES
CCN(CC)CCNC(=O)C1=CN=C(N=C1OC)N
InChI
InChI=1S/C12H21N5O2/c1-4-17(5-2)7-6-14-10(18)9-8-15-12(13)16-11(9)19-3/h8H,4-7H2,1-3H3,(H,14,18)(H2,13,15,16)
InChIKey
GZCYPUTWPAOFSE-UHFFFAOYSA-N
Compound name
2-amino-N-[2-(diethylamino)ethyl]-4-methoxypyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.16953 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.17681 163.8
[M+Na]+ 290.15875 169.3
[M-H]- 266.16225 165.6
[M+NH4]+ 285.20335 177.3
[M+K]+ 306.13269 168.3
[M+H-H2O]+ 250.16679 154.5
[M+HCOO]- 312.16773 187.3
[M+CH3COO]- 326.18338 209.4
[M+Na-2H]- 288.14420 167.2
[M]+ 267.16898 166.0
[M]- 267.17008 166.0
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.