CID 15956194

Schembl4890770

Structural Information

Molecular Formula
C19H19IN4O
SMILES
CN(C1=CC=C(C=C1)N2CCOCC2)C3=NC=NC4=C3C=C(C=C4)I
InChI
InChI=1S/C19H19IN4O/c1-23(19-17-12-14(20)2-7-18(17)21-13-22-19)15-3-5-16(6-4-15)24-8-10-25-11-9-24/h2-7,12-13H,8-11H2,1H3
InChIKey
MZZPHYFAKBKNTO-UHFFFAOYSA-N
Compound name
6-iodo-N-methyl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

446.06036 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.06764 182.7
[M+Na]+ 469.04958 181.4
[M-H]- 445.05308 182.2
[M+NH4]+ 464.09418 186.5
[M+K]+ 485.02352 183.1
[M+H-H2O]+ 429.05762 166.5
[M+HCOO]- 491.05856 193.5
[M+CH3COO]- 505.07421 187.4
[M+Na-2H]- 467.03503 177.2
[M]+ 446.05981 177.5
[M]- 446.06091 177.5
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.