CID 11970865

84712-80-1

Structural Information

Molecular Formula
C13H22ClN5O
SMILES
COCCCNC1=NC(=NC(=N1)Cl)NC2CCCCC2
InChI
InChI=1S/C13H22ClN5O/c1-20-9-5-8-15-12-17-11(14)18-13(19-12)16-10-6-3-2-4-7-10/h10H,2-9H2,1H3,(H2,15,16,17,18,19)
InChIKey
RHRPNOHMMGIBHD-UHFFFAOYSA-N
Compound name
6-chloro-2-N-cyclohexyl-4-N-(3-methoxypropyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.15128 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.158556 169.2
[M+Na]+ 322.140498 173.8
[M-H]- 298.144004 170.4
[M+NH4]+ 317.185103 180.2
[M+K]+ 338.114438 169.0
[M+H-H2O]+ 282.148540 158.9
[M+HCOO]- 344.149481 183.1
[M+CH3COO]- 358.165131 206.1
[M+Na-2H]- 320.125946 174.0
[M]+ 299.15073142 167.9
[M]- 299.15182858 167.9
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.