CID 3025155

102207-78-3

Structural Information

Molecular Formula
C22H42N4O
SMILES
CCCCCCCCN(CCCCCCCC)CCOC1=NC(=NC=C1)N
InChI
InChI=1S/C22H42N4O/c1-3-5-7-9-11-13-17-26(18-14-12-10-8-6-4-2)19-20-27-21-15-16-24-22(23)25-21/h15-16H,3-14,17-20H2,1-2H3,(H2,23,24,25)
InChIKey
AXJIPCUJIFBEBX-UHFFFAOYSA-N
Compound name
4-[2-(dioctylamino)ethoxy]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.33588 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.34316 201.3
[M+Na]+ 401.32510 202.3
[M-H]- 377.32860 200.6
[M+NH4]+ 396.36970 210.5
[M+K]+ 417.29904 198.4
[M+H-H2O]+ 361.33314 190.1
[M+HCOO]- 423.33408 221.0
[M+CH3COO]- 437.34973 231.2
[M+Na-2H]- 399.31055 201.1
[M]+ 378.33533 207.5
[M]- 378.33643 207.5
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.