CID 136560013

Methyl 2-[3-(fluorosulfonyl)phenyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate

Structural Information

Molecular Formula
C16H11FN2O5S
SMILES
COC(=O)C1=CC2=C(C=C1)C(=O)NC(=N2)C3=CC(=CC=C3)S(=O)(=O)F
InChI
InChI=1S/C16H11FN2O5S/c1-24-16(21)10-5-6-12-13(8-10)18-14(19-15(12)20)9-3-2-4-11(7-9)25(17,22)23/h2-8H,1H3,(H,18,19,20)
InChIKey
WVSPHCQTPVTMHR-UHFFFAOYSA-N
Compound name
methyl 2-(3-fluorosulfonylphenyl)-4-oxo-3H-quinazoline-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.03726 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.04454 178.4
[M+Na]+ 385.02648 189.0
[M-H]- 361.02998 181.6
[M+NH4]+ 380.07108 188.9
[M+K]+ 401.00042 183.3
[M+H-H2O]+ 345.03452 169.2
[M+HCOO]- 407.03546 190.5
[M+CH3COO]- 421.05111 208.2
[M+Na-2H]- 383.01193 182.5
[M]+ 362.03671 181.9
[M]- 362.03781 181.9
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.