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 182.2
[M+Na]+ 377.13842 189.4
[M-H]- 353.14192 189.0
[M+NH4]+ 372.18302 193.3
[M+K]+ 393.11236 190.7
[M+H-H2O]+ 337.14646 171.8
[M+HCOO]- 399.14740 201.4
[M+CH3COO]- 413.16305 223.6
[M+Na-2H]- 375.12387 184.7
[M]+ 354.14865 180.0
[M]- 354.14975 180.0
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