CID 5276746

2,4-quinazolinediamine, 6,7-dimethoxy-n,n'-dimethyl-n,n'-dioctyl-

Structural Information

Molecular Formula
C28H48N4O2
SMILES
CCCCCCCCN(C)C1=NC(=NC2=CC(=C(C=C21)OC)OC)N(C)CCCCCCCC
InChI
InChI=1S/C28H48N4O2/c1-7-9-11-13-15-17-19-31(3)27-23-21-25(33-5)26(34-6)22-24(23)29-28(30-27)32(4)20-18-16-14-12-10-8-2/h21-22H,7-20H2,1-6H3
InChIKey
NJBFPFWUQNNPHI-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-2-N,4-N-dimethyl-2-N,4-N-dioctylquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

472.37772 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.38500 228.4
[M+Na]+ 495.36694 230.7
[M-H]- 471.37044 230.7
[M+NH4]+ 490.41154 236.0
[M+K]+ 511.34088 227.1
[M+H-H2O]+ 455.37498 216.3
[M+HCOO]- 517.37592 246.9
[M+CH3COO]- 531.39157 255.5
[M+Na-2H]- 493.35239 226.3
[M]+ 472.37717 240.0
[M]- 472.37827 240.0
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