CID 54698318

Schembl2208212

Structural Information

Molecular Formula
C19H23FN4O3
SMILES
CC1(C2=NC(=C(C(=O)N2CCCN1C)O)C(=O)NCC3=CC=C(C=C3)F)C
InChI
InChI=1S/C19H23FN4O3/c1-19(2)18-22-14(15(25)17(27)24(18)10-4-9-23(19)3)16(26)21-11-12-5-7-13(20)8-6-12/h5-8,25H,4,9-11H2,1-3H3,(H,21,26)
InChIKey
NUNGYMZPICVFKA-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,10,10-trimethyl-4-oxo-7,8-dihydro-6H-pyrimido[1,2-a][1,4]diazepine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

374.1754 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.18268 187.4
[M+Na]+ 397.16462 195.6
[M-H]- 373.16812 190.6
[M+NH4]+ 392.20922 197.5
[M+K]+ 413.13856 195.2
[M+H-H2O]+ 357.17266 176.5
[M+HCOO]- 419.17360 201.2
[M+CH3COO]- 433.18925 220.0
[M+Na-2H]- 395.15007 189.2
[M]+ 374.17485 184.2
[M]- 374.17595 184.2
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

No patent data available for this compound.