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 153.2
[M+Na]+ 252.08558 164.1
[M-H]- 228.08908 152.3
[M+NH4]+ 247.13018 166.9
[M+K]+ 268.05952 161.6
[M+H-H2O]+ 212.09362 143.3
[M+HCOO]- 274.09456 166.8
[M+CH3COO]- 288.11021 163.6
[M+Na-2H]- 250.07103 158.0
[M]+ 229.09581 149.3
[M]- 229.09691 149.3
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