CID 63900

77300-93-7

Structural Information

Molecular Formula
C14H18IN3O
SMILES
CC1=NC2=C(C=C(C=C2)I)C(=O)N1CCNC(C)C
InChI
InChI=1S/C14H18IN3O/c1-9(2)16-6-7-18-10(3)17-13-5-4-11(15)8-12(13)14(18)19/h4-5,8-9,16H,6-7H2,1-3H3
InChIKey
DXMDTCOSQVJPJP-UHFFFAOYSA-N
Compound name
6-iodo-2-methyl-3-[2-(propan-2-ylamino)ethyl]quinazolin-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 166.5
[M+Na]+ 394.03869 168.5
[M-H]- 370.04219 161.7
[M+NH4]+ 389.08329 177.2
[M+K]+ 410.01263 170.3
[M+H-H2O]+ 354.04673 154.9
[M+HCOO]- 416.04767 181.8
[M+CH3COO]- 430.06332 210.9
[M+Na-2H]- 392.02414 159.6
[M]+ 371.04892 166.3
[M]- 371.05002 166.3
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.