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 168.1
[M+Na]+ 296.18456 176.6
[M-H]- 272.18806 170.4
[M+NH4]+ 291.22916 181.9
[M+K]+ 312.15850 171.5
[M+H-H2O]+ 256.19260 158.9
[M+HCOO]- 318.19354 187.6
[M+CH3COO]- 332.20919 206.4
[M+Na-2H]- 294.17001 171.9
[M]+ 273.19479 166.3
[M]- 273.19589 166.3
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.