CID 276876

1597-01-9

Structural Information

Molecular Formula
C15H20N4
SMILES
CC1=C(C(=NC(=N1)N)N)CCCCC2=CC=CC=C2
InChI
InChI=1S/C15H20N4/c1-11-13(14(16)19-15(17)18-11)10-6-5-9-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3,(H4,16,17,18,19)
InChIKey
FNJDMUJSPSCFQC-UHFFFAOYSA-N
Compound name
6-methyl-5-(4-phenylbutyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1688 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.17608 162.5
[M+Na]+ 279.15802 169.9
[M-H]- 255.16152 165.7
[M+NH4]+ 274.20262 176.0
[M+K]+ 295.13196 164.4
[M+H-H2O]+ 239.16606 153.1
[M+HCOO]- 301.16700 184.7
[M+CH3COO]- 315.18265 202.5
[M+Na-2H]- 277.14347 166.8
[M]+ 256.16825 160.8
[M]- 256.16935 160.8
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.