CID 153378

Gnf-pf-784

Structural Information

Molecular Formula
C15H23N5O
SMILES
CCCCOC1=CC=C(C=C1)N2C(=NC(=NC2(C)C)N)N
InChI
InChI=1S/C15H23N5O/c1-4-5-10-21-12-8-6-11(7-9-12)20-14(17)18-13(16)19-15(20,2)3/h6-9H,4-5,10H2,1-3H3,(H4,16,17,18,19)
InChIKey
KPLKJWDJZHEOOL-UHFFFAOYSA-N
Compound name
1-(4-butoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

289.19025 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.19753 171.0
[M+Na]+ 312.17947 179.2
[M-H]- 288.18297 173.3
[M+NH4]+ 307.22407 184.0
[M+K]+ 328.15341 174.8
[M+H-H2O]+ 272.18751 161.5
[M+HCOO]- 334.18845 190.7
[M+CH3COO]- 348.20410 208.6
[M+Na-2H]- 310.16492 174.9
[M]+ 289.18970 170.6
[M]- 289.19080 170.6
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.