CID 3058266

74858-69-8

Structural Information

Molecular Formula
C20H21FN4O2
SMILES
CCN(C)C(=O)NC1=CC2=C(C=C1)N(C(=O)CN=C2C3=CC=CC=C3F)C
InChI
InChI=1S/C20H21FN4O2/c1-4-24(2)20(27)23-13-9-10-17-15(11-13)19(22-12-18(26)25(17)3)14-7-5-6-8-16(14)21/h5-11H,4,12H2,1-3H3,(H,23,27)
InChIKey
ZTNMKTUKMYJGBM-UHFFFAOYSA-N
Compound name
1-ethyl-3-[5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-1-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

368.16486 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.17214 186.6
[M+Na]+ 391.15408 193.3
[M-H]- 367.15758 193.2
[M+NH4]+ 386.19868 197.1
[M+K]+ 407.12802 194.5
[M+H-H2O]+ 351.16212 175.9
[M+HCOO]- 413.16306 205.4
[M+CH3COO]- 427.17871 226.3
[M+Na-2H]- 389.13953 188.6
[M]+ 368.16431 184.7
[M]- 368.16541 184.7
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