CID 3058275

74859-20-4

Structural Information

Molecular Formula
C19H19FN4O2
SMILES
CN1C(=O)CN=C(C2=C1C=CC(=C2)NC(=O)N(C)C)C3=CC=CC=C3F
InChI
InChI=1S/C19H19FN4O2/c1-23(2)19(26)22-12-8-9-16-14(10-12)18(21-11-17(25)24(16)3)13-6-4-5-7-15(13)20/h4-10H,11H2,1-3H3,(H,22,26)
InChIKey
ALKJPRPFCJHMSU-UHFFFAOYSA-N
Compound name
3-[5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

354.1492 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.15648 180.8
[M+Na]+ 377.13842 191.1
[M+NH4]+ 372.18302 185.8
[M+K]+ 393.11236 186.4
[M-H]- 353.14192 183.2
[M+Na-2H]- 375.12387 186.5
[M]+ 354.14865 182.7
[M]- 354.14975 182.7
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