CID 509564

Chembl579032

Structural Information

Molecular Formula
C20H24N4O
SMILES
CCCCOC1=CC=C(C=C1)CCNC2=NC=NC3=C2C=C(C=C3)N
InChI
InChI=1S/C20H24N4O/c1-2-3-12-25-17-7-4-15(5-8-17)10-11-22-20-18-13-16(21)6-9-19(18)23-14-24-20/h4-9,13-14H,2-3,10-12,21H2,1H3,(H,22,23,24)
InChIKey
AXDZPXFZNXYVLH-UHFFFAOYSA-N
Compound name
4-N-[2-(4-butoxyphenyl)ethyl]quinazoline-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

336.195 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.20228 181.7
[M+Na]+ 359.18422 188.0
[M-H]- 335.18772 185.6
[M+NH4]+ 354.22882 192.7
[M+K]+ 375.15816 181.7
[M+H-H2O]+ 319.19226 170.8
[M+HCOO]- 381.19320 202.7
[M+CH3COO]- 395.20885 217.7
[M+Na-2H]- 357.16967 187.8
[M]+ 336.19445 182.7
[M]- 336.19555 182.7
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

No patent data available for this compound.