CID 3058357

75159-22-7

Structural Information

Molecular Formula
C18H14N4O3
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CNCN3C=NC4=CC=CC=C4C3=O
InChI
InChI=1S/C18H14N4O3/c23-16-14-7-3-4-8-15(14)20-11-21(16)9-19-10-22-17(24)12-5-1-2-6-13(12)18(22)25/h1-8,11,19H,9-10H2
InChIKey
NGQOQWZNBSUYPS-UHFFFAOYSA-N
Compound name
2-[[(4-oxoquinazolin-3-yl)methylamino]methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1066 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.11388 176.4
[M+Na]+ 357.09582 186.8
[M-H]- 333.09932 181.7
[M+NH4]+ 352.14042 189.5
[M+K]+ 373.06976 180.4
[M+H-H2O]+ 317.10386 166.2
[M+HCOO]- 379.10480 196.1
[M+CH3COO]- 393.12045 187.2
[M+Na-2H]- 355.08127 181.5
[M]+ 334.10605 178.5
[M]- 334.10715 178.5
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.