CID 44146693

Indaziflam

Structural Information

Molecular Formula
C16H20FN5
SMILES
C[C@H]1CC2=C([C@@H]1NC3=NC(=NC(=N3)N)C(C)F)C=C(C=C2)C
InChI
InChI=1S/C16H20FN5/c1-8-4-5-11-7-9(2)13(12(11)6-8)19-16-21-14(10(3)17)20-15(18)22-16/h4-6,9-10,13H,7H2,1-3H3,(H3,18,19,20,21,22)/t9-,10?,13+/m0/s1
InChIKey
YFONKFDEZLYQDH-BOURZNODSA-N
Compound name
2-N-[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

26
References

11604
Patents

301.1703 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.17758 170.8
[M+Na]+ 324.15952 182.1
[M+NH4]+ 319.20412 177.3
[M+K]+ 340.13346 177.8
[M-H]- 300.16302 173.1
[M+Na-2H]- 322.14497 175.8
[M]+ 301.16975 172.7
[M]- 301.17085 172.7
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