CID 3041959

58892-47-0

Structural Information

Molecular Formula
C9H14F3N7
SMILES
CN1CCN(CC1)C2=NC(=NC(=N2)NN)C(F)(F)F
InChI
InChI=1S/C9H14F3N7/c1-18-2-4-19(5-3-18)8-15-6(9(10,11)12)14-7(16-8)17-13/h2-5,13H2,1H3,(H,14,15,16,17)
InChIKey
LNKLXELEWJPPFJ-UHFFFAOYSA-N
Compound name
[4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

277.12628 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13356 164.9
[M+Na]+ 300.11550 172.6
[M-H]- 276.11900 160.6
[M+NH4]+ 295.16010 173.3
[M+K]+ 316.08944 167.5
[M+H-H2O]+ 260.12354 151.9
[M+HCOO]- 322.12448 176.4
[M+CH3COO]- 336.14013 202.9
[M+Na-2H]- 298.10095 169.2
[M]+ 277.12573 155.5
[M]- 277.12683 155.5
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

patents stripe