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]+ 216.124376 146.9
[M+Na]+ 238.106318 154.2
[M-H]- 214.109824 149.6
[M+NH4]+ 233.150923 160.6
[M+K]+ 254.080258 150.0
[M+H-H2O]+ 198.114360 136.9
[M+HCOO]- 260.115301 170.4
[M+CH3COO]- 274.130951 158.5
[M+Na-2H]- 236.091766 157.3
[M]+ 215.11655142 145.5
[M]- 215.11764858 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.