CID 3069939

Pyrazolo(4,3-e)pyrido(3,2-b)(1,4)diazepin-10(1h)-one, 4,9-dihydro-1,3-dimethyl-

Structural Information

Molecular Formula
C11H11N5O
SMILES
CC1=NN(C2=C1NC3=C(C=CC=N3)NC2=O)C
InChI
InChI=1S/C11H11N5O/c1-6-8-9(16(2)15-6)11(17)13-7-4-3-5-12-10(7)14-8/h3-5H,1-2H3,(H,12,14)(H,13,17)
InChIKey
ALSRWTVRQBAXPF-UHFFFAOYSA-N
Compound name
4,6-dimethyl-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

229.09636 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.10364 150.7
[M+Na]+ 252.08558 161.7
[M+NH4]+ 247.13018 156.2
[M+K]+ 268.05952 159.6
[M-H]- 228.08908 149.3
[M+Na-2H]- 250.07103 153.8
[M]+ 229.09581 151.7
[M]- 229.09691 151.7
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

patents stripe