CID 5276794

Schembl13329958

Structural Information

Molecular Formula
C25H41N5
SMILES
CCCCCCCCNC1=NC(=CC(=N1)NCCCN(CC)CC)C2=CC=CC=C2
InChI
InChI=1S/C25H41N5/c1-4-7-8-9-10-14-18-27-25-28-23(22-16-12-11-13-17-22)21-24(29-25)26-19-15-20-30(5-2)6-3/h11-13,16-17,21H,4-10,14-15,18-20H2,1-3H3,(H2,26,27,28,29)
InChIKey
RQZXDXFBKWFOOD-UHFFFAOYSA-N
Compound name
4-N-[3-(diethylamino)propyl]-2-N-octyl-6-phenylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

411.33618 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.34346 207.8
[M+Na]+ 434.32540 208.8
[M-H]- 410.32890 211.0
[M+NH4]+ 429.37000 215.2
[M+K]+ 450.29934 203.2
[M+H-H2O]+ 394.33344 195.2
[M+HCOO]- 456.33438 229.2
[M+CH3COO]- 470.35003 240.4
[M+Na-2H]- 432.31085 209.6
[M]+ 411.33563 211.5
[M]- 411.33673 211.5
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