CID 167735774

N2-benzyl-n4-methyl-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C11H13N5
SMILES
CNC1=NC(=NC=N1)NCC2=CC=CC=C2
InChI
InChI=1S/C11H13N5/c1-12-10-14-8-15-11(16-10)13-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,12,13,14,15,16)
InChIKey
NEANYROYHAKLAU-UHFFFAOYSA-N
Compound name
2-N-benzyl-4-N-methyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.1171 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.12438 146.9
[M+Na]+ 238.10632 154.2
[M-H]- 214.10982 149.6
[M+NH4]+ 233.15092 160.6
[M+K]+ 254.08026 150.0
[M+H-H2O]+ 198.11436 136.9
[M+HCOO]- 260.11530 170.4
[M+CH3COO]- 274.13095 158.5
[M+Na-2H]- 236.09177 157.3
[M]+ 215.11655 145.5
[M]- 215.11765 145.5
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.