CID 3070759

86870-00-0

Structural Information

Molecular Formula
C14H15N5
SMILES
CCCCC1=NN=C2N1N=CC(=N2)C3=CC=CC=C3
InChI
InChI=1S/C14H15N5/c1-2-3-9-13-17-18-14-16-12(10-15-19(13)14)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3
InChIKey
ULAOAUROMPQUOH-UHFFFAOYSA-N
Compound name
3-butyl-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

253.13275 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.14003 157.9
[M+Na]+ 276.12197 174.3
[M+NH4]+ 271.16657 165.3
[M+K]+ 292.09591 167.9
[M-H]- 252.12547 160.2
[M+Na-2H]- 274.10742 167.2
[M]+ 253.13220 161.0
[M]- 253.13330 161.0
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

patents stripe