CID 453280

133626-74-1

Structural Information

Molecular Formula
C15H14FN3O
SMILES
CCN1C2=CC=CC=C2N(C(=O)C3=C1N=C(C=C3)F)C
InChI
InChI=1S/C15H14FN3O/c1-3-19-12-7-5-4-6-11(12)18(2)15(20)10-8-9-13(16)17-14(10)19/h4-9H,3H2,1-2H3
InChIKey
CHJTZZANMQPXIY-UHFFFAOYSA-N
Compound name
11-ethyl-2-fluoro-6-methylpyrido[3,2-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

271.1121 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.11938 159.1
[M+Na]+ 294.10132 169.9
[M-H]- 270.10482 161.4
[M+NH4]+ 289.14592 173.6
[M+K]+ 310.07526 168.4
[M+H-H2O]+ 254.10936 149.8
[M+HCOO]- 316.11030 175.0
[M+CH3COO]- 330.12595 170.3
[M+Na-2H]- 292.08677 164.9
[M]+ 271.11155 157.5
[M]- 271.11265 157.5
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.