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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.