CID 463194

Dipyridodiazepinone deriv. 67

Structural Information

Molecular Formula
C19H18N6O
SMILES
CCN1C2=C(C=CC=N2)C(=O)N(C3=C1N=C(C=C3)C4=CN=C(C=C4)N)C
InChI
InChI=1S/C19H18N6O/c1-3-25-17-13(5-4-10-21-17)19(26)24(2)15-8-7-14(23-18(15)25)12-6-9-16(20)22-11-12/h4-11H,3H2,1-2H3,(H2,20,22)
InChIKey
JEORFMMREVWKES-UHFFFAOYSA-N
Compound name
5-(6-aminopyridin-3-yl)-2-ethyl-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.1542 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.16148 190.5
[M+Na]+ 369.14342 201.3
[M-H]- 345.14692 194.2
[M+NH4]+ 364.18802 198.5
[M+K]+ 385.11736 198.1
[M+H-H2O]+ 329.15146 177.8
[M+HCOO]- 391.15240 204.7
[M+CH3COO]- 405.16805 199.0
[M+Na-2H]- 367.12887 195.4
[M]+ 346.15365 188.4
[M]- 346.15475 188.4
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.