CID 24882195

N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Structural Information

Molecular Formula
C20H15N5
SMILES
CC1=NC2=NC=NN2C(=C1)NC3=CC4=CC5=CC=CC=C5C=C4C=C3
InChI
InChI=1S/C20H15N5/c1-13-8-19(25-20(23-13)21-12-22-25)24-18-7-6-16-9-14-4-2-3-5-15(14)10-17(16)11-18/h2-12,24H,1H3
InChIKey
OXYDLVAOXASTMW-UHFFFAOYSA-N
Compound name
N-anthracen-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

325.13275 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14003 176.4
[M+Na]+ 348.12197 189.0
[M-H]- 324.12547 181.8
[M+NH4]+ 343.16657 189.5
[M+K]+ 364.09591 180.1
[M+H-H2O]+ 308.13001 164.8
[M+HCOO]- 370.13095 196.7
[M+CH3COO]- 384.14660 187.4
[M+Na-2H]- 346.10742 186.4
[M]+ 325.13220 179.9
[M]- 325.13330 179.9
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