CID 109865

Eglinazine

Structural Information

Molecular Formula
C7H10ClN5O2
SMILES
CCNC1=NC(=NC(=N1)Cl)NCC(=O)O
InChI
InChI=1S/C7H10ClN5O2/c1-2-9-6-11-5(8)12-7(13-6)10-3-4(14)15/h2-3H2,1H3,(H,14,15)(H2,9,10,11,12,13)
InChIKey
IAUFMJOLSFEAIJ-UHFFFAOYSA-N
Compound name
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5444
Patents

231.0523 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.05958 147.1
[M+Na]+ 254.04152 155.6
[M-H]- 230.04502 145.7
[M+NH4]+ 249.08612 160.7
[M+K]+ 270.01546 151.8
[M+H-H2O]+ 214.04956 139.4
[M+HCOO]- 276.05050 163.9
[M+CH3COO]- 290.06615 191.2
[M+Na-2H]- 252.02697 153.6
[M]+ 231.05175 148.5
[M]- 231.05285 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe