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

10
Patents

368.16486 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.172136 186.6
[M+Na]+ 391.154078 193.3
[M-H]- 367.157584 193.2
[M+NH4]+ 386.198683 197.1
[M+K]+ 407.128018 194.5
[M+H-H2O]+ 351.162120 175.9
[M+HCOO]- 413.163061 205.4
[M+CH3COO]- 427.178711 226.3
[M+Na-2H]- 389.139526 188.6
[M]+ 368.16431142 184.7
[M]- 368.16540858 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