CID 5276805

Schembl13329977

Structural Information

Molecular Formula
C23H44N4O2
SMILES
CCCCCCCCNC1=NC(=C(C(=N1)NCCOCCO)CCCCCC)C
InChI
InChI=1S/C23H44N4O2/c1-4-6-8-10-11-13-15-25-23-26-20(3)21(14-12-9-7-5-2)22(27-23)24-16-18-29-19-17-28/h28H,4-19H2,1-3H3,(H2,24,25,26,27)
InChIKey
HFLIOOUZCZQZRI-UHFFFAOYSA-N
Compound name
2-[2-[[5-hexyl-6-methyl-2-(octylamino)pyrimidin-4-yl]amino]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

408.34644 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.35372 207.7
[M+Na]+ 431.33566 209.4
[M-H]- 407.33916 205.2
[M+NH4]+ 426.38026 215.0
[M+K]+ 447.30960 204.1
[M+H-H2O]+ 391.34370 197.1
[M+HCOO]- 453.34464 225.9
[M+CH3COO]- 467.36029 233.5
[M+Na-2H]- 429.32111 207.0
[M]+ 408.34589 214.3
[M]- 408.34699 214.3
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.