CID 364948

Nsc631834

Structural Information

Molecular Formula
C18H26N8O2
SMILES
CCC1=C(C(=NC(=N1)N)C(=O)NCCNC(=O)C2=NC(=NC(=C2C)CC)N)C
InChI
InChI=1S/C18H26N8O2/c1-5-11-9(3)13(25-17(19)23-11)15(27)21-7-8-22-16(28)14-10(4)12(6-2)24-18(20)26-14/h5-8H2,1-4H3,(H,21,27)(H,22,28)(H2,19,23,25)(H2,20,24,26)
InChIKey
SMDXMSQJERBWMN-UHFFFAOYSA-N
Compound name
2-amino-N-[2-[(2-amino-6-ethyl-5-methylpyrimidine-4-carbonyl)amino]ethyl]-6-ethyl-5-methylpyrimidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.21786 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.22514 199.5
[M+Na]+ 409.20708 206.4
[M-H]- 385.21058 201.4
[M+NH4]+ 404.25168 204.8
[M+K]+ 425.18102 201.4
[M+H-H2O]+ 369.21512 188.4
[M+HCOO]- 431.21606 218.8
[M+CH3COO]- 445.23171 235.3
[M+Na-2H]- 407.19253 199.2
[M]+ 386.21731 199.7
[M]- 386.21841 199.7
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.