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]+ 406.114606 190.7
[M+Na]+ 428.096548 198.6
[M-H]- 404.100054 196.1
[M+NH4]+ 423.141153 200.1
[M+K]+ 444.070488 193.7
[M+H-H2O]+ 388.104590 180.5
[M+HCOO]- 450.105531 209.5
[M+CH3COO]- 464.121181 227.3
[M+Na-2H]- 426.081996 194.3
[M]+ 405.10678142 193.0
[M]- 405.10787858 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.