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]+ 234.134936 153.0
[M+Na]+ 256.116878 161.3
[M-H]- 232.120384 159.9
[M+NH4]+ 251.161483 168.1
[M+K]+ 272.090818 161.8
[M+H-H2O]+ 216.124920 143.0
[M+HCOO]- 278.125861 177.5
[M+CH3COO]- 292.141511 202.1
[M+Na-2H]- 254.102326 158.7
[M]+ 233.12711142 157.2
[M]- 233.12820858 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.