CID 213701

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

Structural Information

Molecular Formula
C13H18N6
SMILES
CCNC1=NC(=NC(=N1)N)NCCC2=CC=CC=C2
InChI
InChI=1S/C13H18N6/c1-2-15-12-17-11(14)18-13(19-12)16-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H4,14,15,16,17,18,19)
InChIKey
GOHWRKUIJCPTFC-UHFFFAOYSA-N
Compound name
4-N-ethyl-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

258.1593 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16658 159.5
[M+Na]+ 281.14852 166.0
[M-H]- 257.15202 161.8
[M+NH4]+ 276.19312 171.1
[M+K]+ 297.12246 161.0
[M+H-H2O]+ 241.15656 149.1
[M+HCOO]- 303.15750 182.7
[M+CH3COO]- 317.17315 203.9
[M+Na-2H]- 279.13397 167.6
[M]+ 258.15875 157.5
[M]- 258.15985 157.5
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.