CID 18152

Ipatone

Structural Information

Molecular Formula
C11H21N5O
SMILES
CCN(CC)C1=NC(=NC(=N1)NC(C)C)OC
InChI
InChI=1S/C11H21N5O/c1-6-16(7-2)10-13-9(12-8(3)4)14-11(15-10)17-5/h8H,6-7H2,1-5H3,(H,12,13,14,15)
InChIKey
STMMVKNOSKBEEI-UHFFFAOYSA-N
Compound name
2-N,2-N-diethyl-6-methoxy-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

239.1746 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.18188 156.4
[M+Na]+ 262.16382 166.7
[M+NH4]+ 257.20842 162.2
[M+K]+ 278.13776 162.0
[M-H]- 238.16732 157.2
[M+Na-2H]- 260.14927 161.5
[M]+ 239.17405 157.8
[M]- 239.17515 157.8
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