CID 213572

S-triazine, 2-amino-4-butyl-6-(phenethylamino)-

Structural Information

Molecular Formula
C15H21N5
SMILES
CCCCC1=NC(=NC(=N1)NCCC2=CC=CC=C2)N
InChI
InChI=1S/C15H21N5/c1-2-3-9-13-18-14(16)20-15(19-13)17-11-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H3,16,17,18,19,20)
InChIKey
MKUGDFNXCFUTKW-UHFFFAOYSA-N
Compound name
6-butyl-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.1797 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.18698 165.7
[M+Na]+ 294.16892 172.2
[M-H]- 270.17242 167.6
[M+NH4]+ 289.21352 177.2
[M+K]+ 310.14286 166.7
[M+H-H2O]+ 254.17696 155.1
[M+HCOO]- 316.17790 187.2
[M+CH3COO]- 330.19355 204.7
[M+Na-2H]- 292.15437 172.1
[M]+ 271.17915 165.1
[M]- 271.18025 165.1
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

patents stripe