CID 15956189

(6-iodo-quinazolin-4-yl)-(3-methoxy-4-morpholin-4-yl-phenyl)-amine

Structural Information

Molecular Formula
C19H19IN4O2
SMILES
COC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)I)N4CCOCC4
InChI
InChI=1S/C19H19IN4O2/c1-25-18-11-14(3-5-17(18)24-6-8-26-9-7-24)23-19-15-10-13(20)2-4-16(15)21-12-22-19/h2-5,10-12H,6-9H2,1H3,(H,21,22,23)
InChIKey
XSIJSMSPWSZGEM-UHFFFAOYSA-N
Compound name
6-iodo-N-(3-methoxy-4-morpholin-4-ylphenyl)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

462.05527 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.06255 188.6
[M+Na]+ 485.04449 187.9
[M-H]- 461.04799 187.2
[M+NH4]+ 480.08909 191.4
[M+K]+ 501.01843 189.0
[M+H-H2O]+ 445.05253 172.5
[M+HCOO]- 507.05347 199.0
[M+CH3COO]- 521.06912 192.8
[M+Na-2H]- 483.02994 182.9
[M]+ 462.05472 183.9
[M]- 462.05582 183.9
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