CID 5276811

Schembl13329988

Structural Information

Molecular Formula
C23H36N4
SMILES
CCCCCCCCNC1=NC(=CC(=N1)NCC2=CC=CC=C2)C(C)(C)C
InChI
InChI=1S/C23H36N4/c1-5-6-7-8-9-13-16-24-22-26-20(23(2,3)4)17-21(27-22)25-18-19-14-11-10-12-15-19/h10-12,14-15,17H,5-9,13,16,18H2,1-4H3,(H2,24,25,26,27)
InChIKey
RBWFOKYMKUCIFD-UHFFFAOYSA-N
Compound name
4-N-benzyl-6-tert-butyl-2-N-octylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

368.294 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.30128 197.5
[M+Na]+ 391.28322 200.8
[M-H]- 367.28672 200.2
[M+NH4]+ 386.32782 206.8
[M+K]+ 407.25716 194.7
[M+H-H2O]+ 351.29126 186.7
[M+HCOO]- 413.29220 216.6
[M+CH3COO]- 427.30785 226.1
[M+Na-2H]- 389.26867 201.2
[M]+ 368.29345 199.5
[M]- 368.29455 199.5
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

patents stripe