CID 6065826

Nsc356376

Structural Information

Molecular Formula
C23H15BrN4O2
SMILES
CN1C2=C(C=C(C=C2)Br)/C(=N\N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5)/C1=O
InChI
InChI=1S/C23H15BrN4O2/c1-27-19-12-11-15(24)13-17(19)20(23(27)30)26-28-21(14-7-3-2-4-8-14)25-18-10-6-5-9-16(18)22(28)29/h2-13H,1H3/b26-20+
InChIKey
SBGOJHWPAGOLFA-LHLOQNFPSA-N
Compound name
3-[(E)-(5-bromo-1-methyl-2-oxoindol-3-ylidene)amino]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.03784 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.04512 202.7
[M+Na]+ 481.02706 215.9
[M-H]- 457.03056 214.6
[M+NH4]+ 476.07166 215.2
[M+K]+ 497.00100 202.2
[M+H-H2O]+ 441.03510 198.2
[M+HCOO]- 503.03604 220.6
[M+CH3COO]- 517.05169 214.3
[M+Na-2H]- 479.01251 206.4
[M]+ 458.03729 222.9
[M]- 458.03839 222.9
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.