CID 447098

5-(4-methoxyphenoxy)-2,4-quinazolinediamine

Structural Information

Molecular Formula
C15H14N4O2
SMILES
COC1=CC=C(C=C1)OC2=CC=CC3=C2C(=NC(=N3)N)N
InChI
InChI=1S/C15H14N4O2/c1-20-9-5-7-10(8-6-9)21-12-4-2-3-11-13(12)14(16)19-15(17)18-11/h2-8H,1H3,(H4,16,17,18,19)
InChIKey
CPZJZAIZIMCJRC-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenoxy)quinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

282.11166 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.11894 164.2
[M+Na]+ 305.10088 173.6
[M-H]- 281.10438 169.0
[M+NH4]+ 300.14548 177.5
[M+K]+ 321.07482 168.7
[M+H-H2O]+ 265.10892 154.5
[M+HCOO]- 327.10986 186.4
[M+CH3COO]- 341.12551 175.5
[M+Na-2H]- 303.08633 171.1
[M]+ 282.11111 164.5
[M]- 282.11221 164.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe