CID 3041953

N-methyl-4-(4-morpholinyl)-6-(trifluoromethyl)-1,3,5-triazine-2-amine

Structural Information

Molecular Formula
C9H12F3N5O
SMILES
CNC1=NC(=NC(=N1)C(F)(F)F)N2CCOCC2
InChI
InChI=1S/C9H12F3N5O/c1-13-7-14-6(9(10,11)12)15-8(16-7)17-2-4-18-5-3-17/h2-5H2,1H3,(H,13,14,15,16)
InChIKey
WVZBFQKMWGKBEL-UHFFFAOYSA-N
Compound name
N-methyl-4-morpholin-4-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.0994 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.10668 159.2
[M+Na]+ 286.08862 166.8
[M-H]- 262.09212 156.9
[M+NH4]+ 281.13322 168.5
[M+K]+ 302.06256 163.9
[M+H-H2O]+ 246.09666 146.5
[M+HCOO]- 308.09760 170.9
[M+CH3COO]- 322.11325 196.3
[M+Na-2H]- 284.07407 165.1
[M]+ 263.09885 152.4
[M]- 263.09995 152.4
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.