CID 3059832

77301-01-0

Structural Information

Molecular Formula
C15H20IN3O
SMILES
CCC1=NC2=C(C=C(C=C2)I)C(=O)N1CCNC(C)C
InChI
InChI=1S/C15H20IN3O/c1-4-14-18-13-6-5-11(16)9-12(13)15(20)19(14)8-7-17-10(2)3/h5-6,9-10,17H,4,7-8H2,1-3H3
InChIKey
IMFOMXCCXQIEHG-UHFFFAOYSA-N
Compound name
2-ethyl-6-iodo-3-[2-(propan-2-ylamino)ethyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.06512 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.07240 171.4
[M+Na]+ 408.05434 172.9
[M-H]- 384.05784 166.3
[M+NH4]+ 403.09894 181.5
[M+K]+ 424.02828 174.5
[M+H-H2O]+ 368.06238 159.5
[M+HCOO]- 430.06332 186.2
[M+CH3COO]- 444.07897 213.7
[M+Na-2H]- 406.03979 163.9
[M]+ 385.06457 171.4
[M]- 385.06567 171.4
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.