CID 80109851

2-{[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl}-4-methylpentanoic acid

Structural Information

Molecular Formula
C11H17ClN4O3
SMILES
CC(C)CC(CNC1=NC(=NC(=N1)Cl)OC)C(=O)O
InChI
InChI=1S/C11H17ClN4O3/c1-6(2)4-7(8(17)18)5-13-10-14-9(12)15-11(16-10)19-3/h6-7H,4-5H2,1-3H3,(H,17,18)(H,13,14,15,16)
InChIKey
WTSJDBNIFXCUSK-UHFFFAOYSA-N
Compound name
2-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.0989 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10618 162.3
[M+Na]+ 311.08812 169.4
[M-H]- 287.09162 160.7
[M+NH4]+ 306.13272 173.9
[M+K]+ 327.06206 166.4
[M+H-H2O]+ 271.09616 154.5
[M+HCOO]- 333.09710 175.2
[M+CH3COO]- 347.11275 201.9
[M+Na-2H]- 309.07357 164.4
[M]+ 288.09835 166.3
[M]- 288.09945 166.3
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.