CID 68947304

Amg319

Structural Information

Molecular Formula
C21H16FN7
SMILES
C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5
InChI
InChI=1S/C21H16FN7/c1-12(28-21-19-20(25-10-24-19)26-11-27-21)15-8-13-5-6-14(22)9-17(13)29-18(15)16-4-2-3-7-23-16/h2-12H,1H3,(H2,24,25,26,27,28)/t12-/m0/s1
InChIKey
KWRYMZHCQIOOEB-LBPRGKRZSA-N
Compound name
N-[(1S)-1-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

3080
Patents

385.1451 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.15238 190.6
[M+Na]+ 408.13432 200.9
[M-H]- 384.13782 192.9
[M+NH4]+ 403.17892 196.2
[M+K]+ 424.10826 190.5
[M+H-H2O]+ 368.14236 176.8
[M+HCOO]- 430.14330 204.4
[M+CH3COO]- 444.15895 198.2
[M+Na-2H]- 406.11977 197.0
[M]+ 385.14455 189.7
[M]- 385.14565 189.7
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