CID 3058269

74858-72-3

Structural Information

Molecular Formula
C20H21FN4O3
SMILES
CC(CO)NC(=O)NC1=CC2=C(C=C1)N(C(=O)CN=C2C3=CC=CC=C3F)C
InChI
InChI=1S/C20H21FN4O3/c1-12(11-26)23-20(28)24-13-7-8-17-15(9-13)19(22-10-18(27)25(17)2)14-5-3-4-6-16(14)21/h3-9,12,26H,10-11H2,1-2H3,(H2,23,24,28)
InChIKey
ACPRSYWZZHKABT-UHFFFAOYSA-N
Compound name
1-[5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-3-(1-hydroxypropan-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

384.15976 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.16704 187.6
[M+Na]+ 407.14898 196.3
[M+NH4]+ 402.19358 191.3
[M+K]+ 423.12292 192.5
[M-H]- 383.15248 188.6
[M+Na-2H]- 405.13443 191.6
[M]+ 384.15921 188.7
[M]- 384.16031 188.7
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