CID 63902

77301-00-9

Structural Information

Molecular Formula
C14H18IN3O
SMILES
CCC1=NC2=C(C=C(C=C2)I)C(=O)N1CCNCC
InChI
InChI=1S/C14H18IN3O/c1-3-13-17-12-6-5-10(15)9-11(12)14(19)18(13)8-7-16-4-2/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKey
CJDNASRFACGABM-UHFFFAOYSA-N
Compound name
2-ethyl-3-[2-(ethylamino)ethyl]-6-iodoquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.04947 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.05675 166.9
[M+Na]+ 394.03869 169.1
[M-H]- 370.04219 161.9
[M+NH4]+ 389.08329 177.6
[M+K]+ 410.01263 170.4
[M+H-H2O]+ 354.04673 155.0
[M+HCOO]- 416.04767 183.0
[M+CH3COO]- 430.06332 210.0
[M+Na-2H]- 392.02414 161.0
[M]+ 371.04892 167.1
[M]- 371.05002 167.1
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.