CID 5276754

Schembl13329889

Structural Information

Molecular Formula
C24H30N4
SMILES
CCCCCCC1=C(N=C(N=C1NCC2=CC=CC=C2)NC3=CC=CC=C3)C
InChI
InChI=1S/C24H30N4/c1-3-4-5-12-17-22-19(2)26-24(27-21-15-10-7-11-16-21)28-23(22)25-18-20-13-8-6-9-14-20/h6-11,13-16H,3-5,12,17-18H2,1-2H3,(H2,25,26,27,28)
InChIKey
NMHVZYMMPGCALN-UHFFFAOYSA-N
Compound name
4-N-benzyl-5-hexyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

374.24704 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.25432 194.9
[M+Na]+ 397.23626 199.4
[M-H]- 373.23976 200.8
[M+NH4]+ 392.28086 203.2
[M+K]+ 413.21020 191.7
[M+H-H2O]+ 357.24430 182.6
[M+HCOO]- 419.24524 216.3
[M+CH3COO]- 433.26089 226.2
[M+Na-2H]- 395.22171 199.1
[M]+ 374.24649 195.3
[M]- 374.24759 195.3
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.