CID 110178272

Atz-hcl+cys

Structural Information

Molecular Formula
C11H20N6O2S
SMILES
CCNC1=NC(=NC(=N1)SCC(C(=O)O)N)NC(C)C
InChI
InChI=1S/C11H20N6O2S/c1-4-13-9-15-10(14-6(2)3)17-11(16-9)20-5-7(12)8(18)19/h6-7H,4-5,12H2,1-3H3,(H,18,19)(H2,13,14,15,16,17)
InChIKey
KKXRSEMNAIBSGA-UHFFFAOYSA-N
Compound name
2-amino-3-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

300.13684 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.14412 167.9
[M+Na]+ 323.12606 172.6
[M-H]- 299.12956 165.8
[M+NH4]+ 318.17066 177.7
[M+K]+ 339.10000 169.0
[M+H-H2O]+ 283.13410 159.0
[M+HCOO]- 345.13504 181.1
[M+CH3COO]- 359.15069 209.8
[M+Na-2H]- 321.11151 167.9
[M]+ 300.13629 168.0
[M]- 300.13739 168.0
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

No patent data available for this compound.