CID 135611803

Cyanazine iv

Structural Information

Molecular Formula
C9H15N5O3
SMILES
CCNC1=NC(=O)NC(=N1)NC(C)(C)C(=O)O
InChI
InChI=1S/C9H15N5O3/c1-4-10-6-11-7(13-8(17)12-6)14-9(2,3)5(15)16/h4H2,1-3H3,(H,15,16)(H3,10,11,12,13,14,17)
InChIKey
AXUUYNNVNOSTRP-UHFFFAOYSA-N
Compound name
2-[[4-(ethylamino)-6-oxo-1H-1,3,5-triazin-2-yl]amino]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

0
Patents

241.1175 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.12478 154.7
[M+Na]+ 264.10672 161.8
[M-H]- 240.11022 152.3
[M+NH4]+ 259.15132 166.4
[M+K]+ 280.08066 158.9
[M+H-H2O]+ 224.11476 146.9
[M+HCOO]- 286.11570 172.7
[M+CH3COO]- 300.13135 193.1
[M+Na-2H]- 262.09217 161.0
[M]+ 241.11695 153.3
[M]- 241.11805 153.3
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.