CID 10361208

N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine

Structural Information

Molecular Formula
C18H18F3N5
SMILES
C1CCC(CC1)NC2=NN3C(=NN=C3C4=CC(=CC=C4)C(F)(F)F)C=C2
InChI
InChI=1S/C18H18F3N5/c19-18(20,21)13-6-4-5-12(11-13)17-24-23-16-10-9-15(25-26(16)17)22-14-7-2-1-3-8-14/h4-6,9-11,14H,1-3,7-8H2,(H,22,25)
InChIKey
XYYDXQCAYXOGQT-UHFFFAOYSA-N
Compound name
N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

361.15143 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.15871 183.1
[M+Na]+ 384.14065 191.0
[M-H]- 360.14415 184.4
[M+NH4]+ 379.18525 192.2
[M+K]+ 400.11459 183.1
[M+H-H2O]+ 344.14869 168.8
[M+HCOO]- 406.14963 195.7
[M+CH3COO]- 420.16528 190.9
[M+Na-2H]- 382.12610 186.7
[M]+ 361.15088 176.6
[M]- 361.15198 176.6
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