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 158.2
[M+Na]+ 262.16382 164.8
[M-H]- 238.16732 159.2
[M+NH4]+ 257.20842 172.2
[M+K]+ 278.13776 164.1
[M+H-H2O]+ 222.17186 148.8
[M+HCOO]- 284.17280 179.9
[M+CH3COO]- 298.18845 204.0
[M+Na-2H]- 260.14927 162.9
[M]+ 239.17405 161.7
[M]- 239.17515 161.7
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