CID 78387

4653-73-0

Structural Information

Molecular Formula
C15H23N5
SMILES
CCCCC1=CC=C(C=C1)N2C(=NC(=NC2(C)C)N)N
InChI
InChI=1S/C15H23N5/c1-4-5-6-11-7-9-12(10-8-11)20-14(17)18-13(16)19-15(20,2)3/h7-10H,4-6H2,1-3H3,(H4,16,17,18,19)
InChIKey
PCJOVXVEEYNISX-UHFFFAOYSA-N
Compound name
1-(4-butylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

273.19534 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.20262 166.2
[M+Na]+ 296.18456 178.8
[M+NH4]+ 291.22916 174.2
[M+K]+ 312.15850 170.3
[M-H]- 272.18806 169.9
[M+Na-2H]- 294.17001 174.5
[M]+ 273.19479 169.1
[M]- 273.19589 169.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.