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 190.1
[M+Na]+ 407.14898 195.7
[M-H]- 383.15248 194.2
[M+NH4]+ 402.19358 198.6
[M+K]+ 423.12292 196.6
[M+H-H2O]+ 367.15702 179.8
[M+HCOO]- 429.15796 206.3
[M+CH3COO]- 443.17361 224.3
[M+Na-2H]- 405.13443 191.4
[M]+ 384.15921 186.2
[M]- 384.16031 186.2
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