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]+ 270.134936 161.1
[M+Na]+ 292.116878 169.2
[M-H]- 268.120384 164.5
[M+NH4]+ 287.161483 172.1
[M+K]+ 308.090818 167.8
[M+H-H2O]+ 252.124920 148.7
[M+HCOO]- 314.125861 173.9
[M+CH3COO]- 328.141511 170.7
[M+Na-2H]- 290.102326 166.7
[M]+ 269.12711142 156.5
[M]- 269.12820858 156.5
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.