CID 3071558

Brn 4814577

Structural Information

Molecular Formula
C14H15N5O
SMILES
C1COCCN1C2=NC3=CC=CC=C3N4C=NN=C4C2
InChI
InChI=1S/C14H15N5O/c1-2-4-12-11(3-1)16-13(18-5-7-20-8-6-18)9-14-17-15-10-19(12)14/h1-4,10H,5-9H2
InChIKey
FLHMMSAWTQNWQP-UHFFFAOYSA-N
Compound name
4-(4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.12766 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.13494 165.2
[M+Na]+ 292.11688 177.4
[M+NH4]+ 287.16148 172.0
[M+K]+ 308.09082 173.7
[M-H]- 268.12038 168.1
[M+Na-2H]- 290.10233 170.4
[M]+ 269.12711 167.7
[M]- 269.12821 167.7
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.