CID 3041962

1,3,5-triazine-2-amine, n-(1-methylethyl)-4-(4-morpholinyl)-6-(trifluoromethyl)-

Structural Information

Molecular Formula
C11H16F3N5O
SMILES
CC(C)NC1=NC(=NC(=N1)C(F)(F)F)N2CCOCC2
InChI
InChI=1S/C11H16F3N5O/c1-7(2)15-9-16-8(11(12,13)14)17-10(18-9)19-3-5-20-6-4-19/h7H,3-6H2,1-2H3,(H,15,16,17,18)
InChIKey
DJLMFYOFHCMRKD-UHFFFAOYSA-N
Compound name
4-morpholin-4-yl-N-propan-2-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.1307 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.13798 167.9
[M+Na]+ 314.11992 174.3
[M-H]- 290.12342 165.4
[M+NH4]+ 309.16452 176.0
[M+K]+ 330.09386 171.5
[M+H-H2O]+ 274.12796 154.9
[M+HCOO]- 336.12890 177.9
[M+CH3COO]- 350.14455 203.2
[M+Na-2H]- 312.10537 171.7
[M]+ 291.13015 161.1
[M]- 291.13125 161.1
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.