CID 3044741

Brn 0520358

Structural Information

Molecular Formula
C10H18N4O
SMILES
CCC1=NC(=NC(=N1)OC(C)C)NCC
InChI
InChI=1S/C10H18N4O/c1-5-8-12-9(11-6-2)14-10(13-8)15-7(3)4/h7H,5-6H2,1-4H3,(H,11,12,13,14)
InChIKey
IXGMLJQYJGATJH-UHFFFAOYSA-N
Compound name
N,4-diethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.14806 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.15534 149.9
[M+Na]+ 233.13728 157.8
[M-H]- 209.14078 149.6
[M+NH4]+ 228.18188 164.9
[M+K]+ 249.11122 155.9
[M+H-H2O]+ 193.14532 141.4
[M+HCOO]- 255.14626 170.4
[M+CH3COO]- 269.16191 192.5
[M+Na-2H]- 231.12273 155.4
[M]+ 210.14751 152.6
[M]- 210.14861 152.6
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.