CID 5276816

Schembl13329996

Structural Information

Molecular Formula
C20H38N4O2
SMILES
CCCCCCCCNC1=NC(=CC(=N1)NCCOCCO)C(C)(C)C
InChI
InChI=1S/C20H38N4O2/c1-5-6-7-8-9-10-11-22-19-23-17(20(2,3)4)16-18(24-19)21-12-14-26-15-13-25/h16,25H,5-15H2,1-4H3,(H2,21,22,23,24)
InChIKey
ASSRZRHYLZCBEO-UHFFFAOYSA-N
Compound name
2-[2-[[6-tert-butyl-2-(octylamino)pyrimidin-4-yl]amino]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

366.29947 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.30675 196.6
[M+Na]+ 389.28869 199.2
[M-H]- 365.29219 194.8
[M+NH4]+ 384.33329 205.6
[M+K]+ 405.26263 195.0
[M+H-H2O]+ 349.29673 187.1
[M+HCOO]- 411.29767 214.2
[M+CH3COO]- 425.31332 223.3
[M+Na-2H]- 387.27414 198.9
[M]+ 366.29892 201.1
[M]- 366.30002 201.1
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