CID 2393892

730951-00-5

Structural Information

Molecular Formula
C12H14ClN5
SMILES
CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)CCl
InChI
InChI=1S/C12H14ClN5/c1-2-8-5-3-4-6-9(8)15-12-17-10(7-13)16-11(14)18-12/h3-6H,2,7H2,1H3,(H3,14,15,16,17,18)
InChIKey
KMWKAMTWYKHTPE-UHFFFAOYSA-N
Compound name
6-(chloromethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.09378 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.10106 159.8
[M+Na]+ 286.08300 169.1
[M-H]- 262.08650 162.2
[M+NH4]+ 281.12760 172.6
[M+K]+ 302.05694 162.7
[M+H-H2O]+ 246.09104 150.4
[M+HCOO]- 308.09198 177.5
[M+CH3COO]- 322.10763 170.8
[M+Na-2H]- 284.06845 166.2
[M]+ 263.09323 160.4
[M]- 263.09433 160.4
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.