CID 3039316

50372-47-9

Structural Information

Molecular Formula
C11H15N5O
SMILES
CN(C)C1=NC(=NC(=N1)C2=CC=CO2)N(C)C
InChI
InChI=1S/C11H15N5O/c1-15(2)10-12-9(8-6-5-7-17-8)13-11(14-10)16(3)4/h5-7H,1-4H3
InChIKey
WNIOUQLQFSQTNL-UHFFFAOYSA-N
Compound name
6-(furan-2-yl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.12766 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.13494 153.0
[M+Na]+ 256.11688 161.3
[M-H]- 232.12038 159.9
[M+NH4]+ 251.16148 168.1
[M+K]+ 272.09082 161.8
[M+H-H2O]+ 216.12492 143.0
[M+HCOO]- 278.12586 177.5
[M+CH3COO]- 292.14151 202.1
[M+Na-2H]- 254.10233 158.7
[M]+ 233.12711 157.2
[M]- 233.12821 157.2
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.