CID 9554268

Benzaldehyde, (4-(4-morpholinyl)-6-(trifluoromethyl)-1,3,5-triazin-2-yl)hydrazone

Structural Information

Molecular Formula
C15H15F3N6O
SMILES
C1COCCN1C2=NC(=NC(=N2)N/N=C/C3=CC=CC=C3)C(F)(F)F
InChI
InChI=1S/C15H15F3N6O/c16-15(17,18)12-20-13(23-19-10-11-4-2-1-3-5-11)22-14(21-12)24-6-8-25-9-7-24/h1-5,10H,6-9H2,(H,20,21,22,23)/b19-10+
InChIKey
BNUINXOHCSRQKA-VXLYETTFSA-N
Compound name
N-[(E)-benzylideneamino]-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

352.12595 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13323 181.7
[M+Na]+ 375.11517 187.8
[M-H]- 351.11867 183.3
[M+NH4]+ 370.15977 187.0
[M+K]+ 391.08911 182.8
[M+H-H2O]+ 335.12321 166.4
[M+HCOO]- 397.12415 195.3
[M+CH3COO]- 411.13980 216.1
[M+Na-2H]- 373.10062 188.1
[M]+ 352.12540 174.8
[M]- 352.12650 174.8
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.