CID 3058284

74872-44-9

Structural Information

Molecular Formula
C19H19FN4O3
SMILES
CN1C(=O)CN=C(C2=C1C=CC(=C2)NC(=O)NCCO)C3=CC=CC=C3F
InChI
InChI=1S/C19H19FN4O3/c1-24-16-7-6-12(23-19(27)21-8-9-25)10-14(16)18(22-11-17(24)26)13-4-2-3-5-15(13)20/h2-7,10,25H,8-9,11H2,1H3,(H2,21,23,27)
InChIKey
ZOEAIPZRKHTZAG-UHFFFAOYSA-N
Compound name
1-[5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-3-(2-hydroxyethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

370.1441 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.15138 184.1
[M+Na]+ 393.13332 193.3
[M+NH4]+ 388.17792 188.1
[M+K]+ 409.10726 188.9
[M-H]- 369.13682 185.3
[M+Na-2H]- 391.11877 188.5
[M]+ 370.14355 185.4
[M]- 370.14465 185.4
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