CID 11524828

6-iodo-n-(4-morpholinophenyl)quinazolin-4-amine

Structural Information

Molecular Formula
C18H17IN4O
SMILES
C1COCCN1C2=CC=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)I
InChI
InChI=1S/C18H17IN4O/c19-13-1-6-17-16(11-13)18(21-12-20-17)22-14-2-4-15(5-3-14)23-7-9-24-10-8-23/h1-6,11-12H,7-10H2,(H,20,21,22)
InChIKey
SOQJJEISZHCVMH-UHFFFAOYSA-N
Compound name
6-iodo-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

432.0447 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.05198 179.1
[M+Na]+ 455.03392 178.2
[M-H]- 431.03742 177.5
[M+NH4]+ 450.07852 182.9
[M+K]+ 471.00786 178.8
[M+H-H2O]+ 415.04196 163.2
[M+HCOO]- 477.04290 189.8
[M+CH3COO]- 491.05855 183.7
[M+Na-2H]- 453.01937 174.7
[M]+ 432.04415 172.5
[M]- 432.04525 172.5
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

patents stripe