CID 3058264

74858-67-6

Structural Information

Molecular Formula
C18H17FN4O2
SMILES
CNC(=O)NC1=CC2=C(C=C1)N(C(=O)CN=C2C3=CC=CC=C3F)C
InChI
InChI=1S/C18H17FN4O2/c1-20-18(25)22-11-7-8-15-13(9-11)17(21-10-16(24)23(15)2)12-5-3-4-6-14(12)19/h3-9H,10H2,1-2H3,(H2,20,22,25)
InChIKey
KCWABEDMTARXGL-UHFFFAOYSA-N
Compound name
1-[5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

340.13354 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.14082 179.1
[M+Na]+ 363.12276 186.6
[M-H]- 339.12626 184.8
[M+NH4]+ 358.16736 190.2
[M+K]+ 379.09670 186.8
[M+H-H2O]+ 323.13080 168.9
[M+HCOO]- 385.13174 198.1
[M+CH3COO]- 399.14739 217.7
[M+Na-2H]- 361.10821 182.7
[M]+ 340.13299 175.4
[M]- 340.13409 175.4
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