CID 474631

5,11-dihydro-11-ethyl-5-methyldipyrido[3,2-b:2',3'-e]azepine-6-one

Structural Information

Molecular Formula
C15H15N3O
SMILES
CCC1C2=C(C=CC=N2)C(=O)N(C3=C1N=CC=C3)C
InChI
InChI=1S/C15H15N3O/c1-3-10-13-11(6-4-8-16-13)15(19)18(2)12-7-5-9-17-14(10)12/h4-10H,3H2,1-2H3
InChIKey
ZCWYJKQOBJCWSN-UHFFFAOYSA-N
Compound name
2-ethyl-9-methyl-4,9,15-triazatricyclo[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

0
References

2
Patents

253.1215 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.128776 157.4
[M+Na]+ 276.110718 167.2
[M-H]- 252.114224 160.6
[M+NH4]+ 271.155323 172.3
[M+K]+ 292.084658 166.0
[M+H-H2O]+ 236.118760 148.8
[M+HCOO]- 298.119701 174.2
[M+CH3COO]- 312.135351 168.7
[M+Na-2H]- 274.096166 164.3
[M]+ 253.12095142 156.3
[M]- 253.12204858 156.3
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