CID 22579193

Bg-1

Structural Information

Molecular Formula
C19H24N6
SMILES
CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=C(C(=NC4=NC=NN34)C)C
InChI
InChI=1S/C19H24N6/c1-13-5-6-14(2)17(11-13)23-7-9-24(10-8-23)18-15(3)16(4)22-19-20-12-21-25(18)19/h5-6,11-12H,7-10H2,1-4H3
InChIKey
JFHKCLLXEVVWNH-UHFFFAOYSA-N
Compound name
7-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.20624 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.21352 189.0
[M+Na]+ 359.19546 199.6
[M-H]- 335.19896 192.3
[M+NH4]+ 354.24006 197.5
[M+K]+ 375.16940 191.5
[M+H-H2O]+ 319.20350 176.2
[M+HCOO]- 381.20444 202.0
[M+CH3COO]- 395.22009 197.7
[M+Na-2H]- 357.18091 189.2
[M]+ 336.20569 189.0
[M]- 336.20679 189.0
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.