CID 3058276

74859-21-5

Structural Information

Molecular Formula
C24H21FN4O3
SMILES
CN1C(=O)CN=C(C2=C1C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)C4=CC=CC=C4F
InChI
InChI=1S/C24H21FN4O3/c1-29-21-12-9-16(28-24(31)27-15-7-10-17(32-2)11-8-15)13-19(21)23(26-14-22(29)30)18-5-3-4-6-20(18)25/h3-13H,14H2,1-2H3,(H2,27,28,31)
InChIKey
ZZKRXWOYYWYXDO-UHFFFAOYSA-N
Compound name
1-[5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-3-(4-methoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

432.15976 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.16704 206.1
[M+Na]+ 455.14898 212.9
[M-H]- 431.15248 214.4
[M+NH4]+ 450.19358 213.1
[M+K]+ 471.12292 212.6
[M+H-H2O]+ 415.15702 194.3
[M+HCOO]- 477.15796 224.3
[M+CH3COO]- 491.17361 214.0
[M+Na-2H]- 453.13443 208.2
[M]+ 432.15921 203.5
[M]- 432.16031 203.5
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