CID 23007

6504-85-4

Structural Information

Molecular Formula
C7H8ClN5O4
SMILES
C(C(=O)O)NC1=NC(=NC(=N1)Cl)NCC(=O)O
InChI
InChI=1S/C7H8ClN5O4/c8-5-11-6(9-1-3(14)15)13-7(12-5)10-2-4(16)17/h1-2H2,(H,14,15)(H,16,17)(H2,9,10,11,12,13)
InChIKey
QACJNLFCDPDUNE-UHFFFAOYSA-N
Compound name
2-[[4-(carboxymethylamino)-6-chloro-1,3,5-triazin-2-yl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

261.0265 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.03378 150.1
[M+Na]+ 284.01572 157.9
[M-H]- 260.01922 147.7
[M+NH4]+ 279.06032 161.5
[M+K]+ 299.98966 154.5
[M+H-H2O]+ 244.02376 142.6
[M+HCOO]- 306.02470 165.2
[M+CH3COO]- 320.04035 193.6
[M+Na-2H]- 282.00117 155.4
[M]+ 261.02595 151.3
[M]- 261.02705 151.3
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

patents stripe