CID 64089

Brn 0863841

Structural Information

Molecular Formula
C22H15IN4O4
SMILES
CC1=NC2=C(C=C(C=C2)I)C(=O)N1C3=CC=C(C=C3)N=CC4=C(C(=CC=C4)[N+](=O)[O-])O
InChI
InChI=1S/C22H15IN4O4/c1-13-25-19-10-5-15(23)11-18(19)22(29)26(13)17-8-6-16(7-9-17)24-12-14-3-2-4-20(21(14)28)27(30)31/h2-12,28H,1H3
InChIKey
GMKQRLOFKBXXKV-UHFFFAOYSA-N
Compound name
3-[4-[(2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]-6-iodo-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

526.0138 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.02108 209.6
[M+Na]+ 549.00302 210.3
[M-H]- 525.00652 210.5
[M+NH4]+ 544.04762 211.9
[M+K]+ 564.97696 205.9
[M+H-H2O]+ 509.01106 197.7
[M+HCOO]- 571.01200 225.6
[M+CH3COO]- 585.02765 230.5
[M+Na-2H]- 546.98847 204.3
[M]+ 526.01325 206.8
[M]- 526.01435 206.8
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.