CID 3053789

1-(3,4-dihydro-4-oxo-3-quinazolinylmethyl)-3-(1,3-dioxo-2-isoindolinylacetyl)urea 4hcl

Structural Information

Molecular Formula
C20H15N5O5
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NC(=O)NCN3C=NC4=CC=CC=C4C3=O
InChI
InChI=1S/C20H15N5O5/c26-16(9-25-18(28)12-5-1-2-6-13(12)19(25)29)23-20(30)22-11-24-10-21-15-8-4-3-7-14(15)17(24)27/h1-8,10H,9,11H2,(H2,22,23,26,30)
InChIKey
SMCGGEAUPQCLFQ-UHFFFAOYSA-N
Compound name
2-(1,3-dioxoisoindol-2-yl)-N-[(4-oxoquinazolin-3-yl)methylcarbamoyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.10733 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.11461 191.5
[M+Na]+ 428.09655 202.7
[M+NH4]+ 423.14115 195.2
[M+K]+ 444.07049 199.8
[M-H]- 404.10005 192.9
[M+Na-2H]- 426.08200 195.2
[M]+ 405.10678 192.9
[M]- 405.10788 192.9
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.