CID 213705

N(sup 2)-hexyl-n(sup 4)-phenethylmelamine maleate

Structural Information

Molecular Formula
C17H26N6
SMILES
CCCCCCNC1=NC(=NC(=N1)N)NCCC2=CC=CC=C2
InChI
InChI=1S/C17H26N6/c1-2-3-4-8-12-19-16-21-15(18)22-17(23-16)20-13-11-14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3,(H4,18,19,20,21,22,23)
InChIKey
ZVDDTWVRUXLIJQ-UHFFFAOYSA-N
Compound name
4-N-hexyl-2-N-(2-phenylethyl)-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.2219 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.22918 176.3
[M+Na]+ 337.21112 181.0
[M-H]- 313.21462 177.8
[M+NH4]+ 332.25572 185.6
[M+K]+ 353.18506 175.1
[M+H-H2O]+ 297.21916 165.0
[M+HCOO]- 359.22010 198.2
[M+CH3COO]- 373.23575 215.8
[M+Na-2H]- 335.19657 182.4
[M]+ 314.22135 175.7
[M]- 314.22245 175.7
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