CID 509562

Chembl566186

Structural Information

Molecular Formula
C19H22N4O
SMILES
CCCOC1=CC=C(C=C1)CCNC2=NC=NC3=C2C=C(C=C3)N
InChI
InChI=1S/C19H22N4O/c1-2-11-24-16-6-3-14(4-7-16)9-10-21-19-17-12-15(20)5-8-18(17)22-13-23-19/h3-8,12-13H,2,9-11,20H2,1H3,(H,21,22,23)
InChIKey
CSUVCPMPQVEINR-UHFFFAOYSA-N
Compound name
4-N-[2-(4-propoxyphenyl)ethyl]quinazoline-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

322.17935 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.18663 177.3
[M+Na]+ 345.16857 184.1
[M-H]- 321.17207 181.4
[M+NH4]+ 340.21317 189.0
[M+K]+ 361.14251 178.0
[M+H-H2O]+ 305.17661 166.7
[M+HCOO]- 367.17755 198.7
[M+CH3COO]- 381.19320 187.0
[M+Na-2H]- 343.15402 184.0
[M]+ 322.17880 178.0
[M]- 322.17990 178.0
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