CID 5276810

Schembl13329999

Structural Information

Molecular Formula
C24H38N4
SMILES
CCCCCCCCNC1=NC(=CC(=N1)NCCC2=CC=CC=C2)C(C)(C)C
InChI
InChI=1S/C24H38N4/c1-5-6-7-8-9-13-17-26-23-27-21(24(2,3)4)19-22(28-23)25-18-16-20-14-11-10-12-15-20/h10-12,14-15,19H,5-9,13,16-18H2,1-4H3,(H2,25,26,27,28)
InChIKey
TYUXDTKHBLJUAE-UHFFFAOYSA-N
Compound name
6-tert-butyl-2-N-octyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

382.30966 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.31694 201.8
[M+Na]+ 405.29888 204.6
[M-H]- 381.30238 204.2
[M+NH4]+ 400.34348 210.4
[M+K]+ 421.27282 198.3
[M+H-H2O]+ 365.30692 190.8
[M+HCOO]- 427.30786 220.5
[M+CH3COO]- 441.32351 229.1
[M+Na-2H]- 403.28433 205.0
[M]+ 382.30911 204.1
[M]- 382.31021 204.1
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