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 186.4
[M+Na]+ 393.13332 192.7
[M-H]- 369.13682 190.6
[M+NH4]+ 388.17792 195.5
[M+K]+ 409.10726 193.1
[M+H-H2O]+ 353.14136 176.0
[M+HCOO]- 415.14230 203.9
[M+CH3COO]- 429.15795 220.6
[M+Na-2H]- 391.11877 189.2
[M]+ 370.14355 182.7
[M]- 370.14465 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