CID 343531

Nsc383127

Structural Information

Molecular Formula
C18H14FN3O
SMILES
CC1=CC2=C(C(=C1C)C#N)NC(=O)CN=C2C3=CC=CC=C3F
InChI
InChI=1S/C18H14FN3O/c1-10-7-13-17(12-5-3-4-6-15(12)19)21-9-16(23)22-18(13)14(8-20)11(10)2/h3-7H,9H2,1-2H3,(H,22,23)
InChIKey
GHJBINVHZPQQJN-UHFFFAOYSA-N
Compound name
5-(2-fluorophenyl)-7,8-dimethyl-2-oxo-1,3-dihydro-1,4-benzodiazepine-9-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.1121 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.11938 170.3
[M+Na]+ 330.10132 181.3
[M-H]- 306.10482 173.0
[M+NH4]+ 325.14592 181.2
[M+K]+ 346.07526 177.6
[M+H-H2O]+ 290.10936 155.4
[M+HCOO]- 352.11030 183.3
[M+CH3COO]- 366.12595 179.0
[M+Na-2H]- 328.08677 172.1
[M]+ 307.11155 161.6
[M]- 307.11265 161.6
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.