CID 63143

Brn 0849073

Structural Information

Molecular Formula
C22H16IN3O2
SMILES
CC1=NC2=C(C=C(C=C2)I)C(=O)N1C3=CC=C(C=C3)N=CC4=CC=CC=C4O
InChI
InChI=1S/C22H16IN3O2/c1-14-25-20-11-6-16(23)12-19(20)22(28)26(14)18-9-7-17(8-10-18)24-13-15-4-2-3-5-21(15)27/h2-13,27H,1H3
InChIKey
AYYOPCHHAMRZHE-UHFFFAOYSA-N
Compound name
3-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]-6-iodo-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.02872 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.03600 195.2
[M+Na]+ 504.01794 198.0
[M-H]- 480.02144 195.9
[M+NH4]+ 499.06254 200.4
[M+K]+ 519.99188 196.5
[M+H-H2O]+ 464.02598 179.8
[M+HCOO]- 526.02692 210.9
[M+CH3COO]- 540.04257 200.9
[M+Na-2H]- 502.00339 188.9
[M]+ 481.02817 193.7
[M]- 481.02927 193.7
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.