CID 11057771

Proquinazid

Structural Information

Molecular Formula
C14H17IN2O2
SMILES
CCCN1C(=O)C2=C(C=CC(=C2)I)N=C1OCCC
InChI
InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3
InChIKey
FLVBXVXXXMLMOX-UHFFFAOYSA-N
Compound name
6-iodo-2-propoxy-3-propylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

2
References

23473
Patents

372.03348 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.04076 164.1
[M+Na]+ 395.02270 167.1
[M-H]- 371.02620 159.1
[M+NH4]+ 390.06730 175.1
[M+K]+ 410.99664 169.0
[M+H-H2O]+ 355.03074 152.4
[M+HCOO]- 417.03168 179.5
[M+CH3COO]- 431.04733 207.3
[M+Na-2H]- 393.00815 158.0
[M]+ 372.03293 166.4
[M]- 372.03403 166.4
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

No patent data available for this compound.