CID 5081

91917-65-6

Structural Information

Molecular Formula
C15H14N6O3
SMILES
CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)N=[N+]=[N-])C
InChI
InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3
InChIKey
CFSOJZTUTOQNIA-UHFFFAOYSA-N
Compound name
ethyl 8-azido-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

400
References

32
Patents

326.11273 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.12001 177.1
[M+Na]+ 349.10195 185.1
[M-H]- 325.10545 183.7
[M+NH4]+ 344.14655 190.7
[M+K]+ 365.07589 181.7
[M+H-H2O]+ 309.10999 171.1
[M+HCOO]- 371.11093 200.4
[M+CH3COO]- 385.12658 213.0
[M+Na-2H]- 347.08740 184.5
[M]+ 326.11218 176.0
[M]- 326.11328 176.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe