CID 63456

Brn 0859453

Structural Information

Molecular Formula
C22H14Cl2IN3O2
SMILES
CC1=NC2=C(C=C(C=C2)I)C(=O)N1C3=CC=C(C=C3)N=CC4=C(C(=CC(=C4)Cl)Cl)O
InChI
InChI=1S/C22H14Cl2IN3O2/c1-12-27-20-7-2-15(25)10-18(20)22(30)28(12)17-5-3-16(4-6-17)26-11-13-8-14(23)9-19(24)21(13)29/h2-11,29H,1H3
InChIKey
KXIKFNLAJWVGHP-UHFFFAOYSA-N
Compound name
3-[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]-6-iodo-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

548.9508 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.95808 202.9
[M+Na]+ 571.94002 208.5
[M-H]- 547.94352 203.3
[M+NH4]+ 566.98462 207.6
[M+K]+ 587.91396 205.5
[M+H-H2O]+ 531.94806 188.8
[M+HCOO]- 593.94900 209.7
[M+CH3COO]- 607.96465 208.4
[M+Na-2H]- 569.92547 194.7
[M]+ 548.95025 206.2
[M]- 548.95135 206.2
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.