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 190.7
[M+Na]+ 428.09655 198.6
[M-H]- 404.10005 196.1
[M+NH4]+ 423.14115 200.1
[M+K]+ 444.07049 193.7
[M+H-H2O]+ 388.10459 180.5
[M+HCOO]- 450.10553 209.5
[M+CH3COO]- 464.12118 227.3
[M+Na-2H]- 426.08200 194.3
[M]+ 405.10678 193.0
[M]- 405.10788 193.0
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.