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

10
Patents

354.1492 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.156476 182.2
[M+Na]+ 377.138418 189.4
[M-H]- 353.141924 189.0
[M+NH4]+ 372.183023 193.3
[M+K]+ 393.112358 190.7
[M+H-H2O]+ 337.146460 171.8
[M+HCOO]- 399.147401 201.4
[M+CH3COO]- 413.163051 223.6
[M+Na-2H]- 375.123866 184.7
[M]+ 354.14865142 180.0
[M]- 354.14974858 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