CID 213703

N(sup 2),n(sup 2)-dipropyl-n(sup 4)-phenethylmelamine maleate

Structural Information

Molecular Formula
C17H26N6
SMILES
CCCN(CCC)C1=NC(=NC(=N1)NCCC2=CC=CC=C2)N
InChI
InChI=1S/C17H26N6/c1-3-12-23(13-4-2)17-21-15(18)20-16(22-17)19-11-10-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H3,18,19,20,21,22)
InChIKey
IRBOHGXPXYMABK-UHFFFAOYSA-N
Compound name
4-N-(2-phenylethyl)-2-N,2-N-dipropyl-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

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.22918 177.7
[M+Na]+ 337.21112 182.5
[M-H]- 313.21462 180.8
[M+NH4]+ 332.25572 187.7
[M+K]+ 353.18506 178.0
[M+H-H2O]+ 297.21916 166.2
[M+HCOO]- 359.22010 200.1
[M+CH3COO]- 373.23575 219.0
[M+Na-2H]- 335.19657 183.0
[M]+ 314.22135 178.3
[M]- 314.22245 178.3
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

No patent data available for this compound.