CID 660996

92872-51-0

Structural Information

Molecular Formula
C16H13N5
SMILES
CC1=NC2=NC=NN2C(=C1)NC3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C16H13N5/c1-11-8-15(21-16(19-11)17-10-18-21)20-14-7-6-12-4-2-3-5-13(12)9-14/h2-10,20H,1H3
InChIKey
WPVMVODGPNYYEV-UHFFFAOYSA-N
Compound name
5-methyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

5
Patents

275.1171 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12438 162.3
[M+Na]+ 298.10632 179.7
[M+NH4]+ 293.15092 171.1
[M+K]+ 314.08026 172.6
[M-H]- 274.10982 167.0
[M+Na-2H]- 296.09177 172.3
[M]+ 275.11655 166.3
[M]- 275.11765 166.3
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