CID 453274

133626-68-3

Structural Information

Molecular Formula
C16H17N3O
SMILES
CCN1C2=C(C=C(C=C2)C)N(C(=O)C3=C1N=CC=C3)C
InChI
InChI=1S/C16H17N3O/c1-4-19-13-8-7-11(2)10-14(13)18(3)16(20)12-6-5-9-17-15(12)19/h5-10H,4H2,1-3H3
InChIKey
FIGRBQAMMXFIMA-UHFFFAOYSA-N
Compound name
11-ethyl-6,8-dimethylpyrido[3,2-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.13718 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.14446 162.1
[M+Na]+ 290.12640 172.3
[M-H]- 266.12990 165.5
[M+NH4]+ 285.17100 176.7
[M+K]+ 306.10034 171.1
[M+H-H2O]+ 250.13444 153.5
[M+HCOO]- 312.13538 178.6
[M+CH3COO]- 326.15103 173.3
[M+Na-2H]- 288.11185 167.8
[M]+ 267.13663 161.7
[M]- 267.13773 161.7
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

No patent data available for this compound.