CID 461900

2,4-quinazolinediamine, 5-ethoxy-

Structural Information

Molecular Formula
C10H12N4O
SMILES
CCOC1=CC=CC2=C1C(=NC(=N2)N)N
InChI
InChI=1S/C10H12N4O/c1-2-15-7-5-3-4-6-8(7)9(11)14-10(12)13-6/h3-5H,2H2,1H3,(H4,11,12,13,14)
InChIKey
LRWVBCREDYTZPL-UHFFFAOYSA-N
Compound name
5-ethoxyquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

16
Patents

204.1011 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.10838 143.9
[M+Na]+ 227.09032 153.6
[M-H]- 203.09382 145.6
[M+NH4]+ 222.13492 160.9
[M+K]+ 243.06426 149.9
[M+H-H2O]+ 187.09836 136.1
[M+HCOO]- 249.09930 166.5
[M+CH3COO]- 263.11495 191.3
[M+Na-2H]- 225.07577 151.6
[M]+ 204.10055 143.3
[M]- 204.10165 143.3
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