CID 10947588

Triaziflam

Structural Information

Molecular Formula
C17H24FN5O
SMILES
CC1=CC(=CC(=C1)OCC(C)NC2=NC(=NC(=N2)N)C(C)(C)F)C
InChI
InChI=1S/C17H24FN5O/c1-10-6-11(2)8-13(7-10)24-9-12(3)20-16-22-14(17(4,5)18)21-15(19)23-16/h6-8,12H,9H2,1-5H3,(H3,19,20,21,22,23)
InChIKey
IUFUITYPUYMIHI-UHFFFAOYSA-N
Compound name
2-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15914
Patents

333.1965 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.20378 183.6
[M+Na]+ 356.18572 191.0
[M-H]- 332.18922 185.1
[M+NH4]+ 351.23032 193.0
[M+K]+ 372.15966 186.3
[M+H-H2O]+ 316.19376 172.7
[M+HCOO]- 378.19470 200.8
[M+CH3COO]- 392.21035 219.2
[M+Na-2H]- 354.17117 186.2
[M]+ 333.19595 183.6
[M]- 333.19705 183.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe