CID 3079268

5h-s-triazolo(4,3-a)(1,4)diazepine, 6,7,8,9-tetrahydro-8-methyl-3-(4-pyridinyl)-

Structural Information

Molecular Formula
C12H15N5
SMILES
CN1CCCN2C(=NN=C2C3=CC=NC=C3)C1
InChI
InChI=1S/C12H15N5/c1-16-7-2-8-17-11(9-16)14-15-12(17)10-3-5-13-6-4-10/h3-6H,2,7-9H2,1H3
InChIKey
NMZORDZOUYGQES-UHFFFAOYSA-N
Compound name
8-methyl-3-pyridin-4-yl-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.13275 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.14003 152.8
[M+Na]+ 252.12197 164.4
[M+NH4]+ 247.16657 159.4
[M+K]+ 268.09591 160.9
[M-H]- 228.12547 154.1
[M+Na-2H]- 250.10742 159.4
[M]+ 229.13220 154.7
[M]- 229.13330 154.7
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.