CID 309192

Nsc211370

Structural Information

Molecular Formula
C15H21N5
SMILES
CC1=C(C(=NC(=N1)N)N)CCCCC2=CC=C(C=C2)N
InChI
InChI=1S/C15H21N5/c1-10-13(14(17)20-15(18)19-10)5-3-2-4-11-6-8-12(16)9-7-11/h6-9H,2-5,16H2,1H3,(H4,17,18,19,20)
InChIKey
BMXHTXHAMTYHRA-UHFFFAOYSA-N
Compound name
5-[4-(4-aminophenyl)butyl]-6-methylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.1797 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.18698 166.8
[M+Na]+ 294.16892 174.4
[M-H]- 270.17242 170.0
[M+NH4]+ 289.21352 179.5
[M+K]+ 310.14286 168.7
[M+H-H2O]+ 254.17696 157.4
[M+HCOO]- 316.17790 189.4
[M+CH3COO]- 330.19355 208.4
[M+Na-2H]- 292.15437 169.8
[M]+ 271.17915 163.9
[M]- 271.18025 163.9
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.