CID 5276790

Schembl13329954

Structural Information

Molecular Formula
C17H32N4O
SMILES
CCCCCCCCNC1=NC(=CC(=N1)N(CC)CCO)C
InChI
InChI=1S/C17H32N4O/c1-4-6-7-8-9-10-11-18-17-19-15(3)14-16(20-17)21(5-2)12-13-22/h14,22H,4-13H2,1-3H3,(H,18,19,20)
InChIKey
BGMMDORSZRNTEC-UHFFFAOYSA-N
Compound name
2-[ethyl-[6-methyl-2-(octylamino)pyrimidin-4-yl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

308.2576 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.26488 180.2
[M+Na]+ 331.24682 183.9
[M-H]- 307.25032 180.0
[M+NH4]+ 326.29142 192.1
[M+K]+ 347.22076 180.7
[M+H-H2O]+ 291.25486 170.5
[M+HCOO]- 353.25580 200.7
[M+CH3COO]- 367.27145 215.7
[M+Na-2H]- 329.23227 182.3
[M]+ 308.25705 184.1
[M]- 308.25815 184.1
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