CID 5276745

Tcmdc-132011

Structural Information

Molecular Formula
C24H24N4O2
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)NCC3=CC=CC=C3)NCC4=CC=CC=C4)OC
InChI
InChI=1S/C24H24N4O2/c1-29-21-13-19-20(14-22(21)30-2)27-24(26-16-18-11-7-4-8-12-18)28-23(19)25-15-17-9-5-3-6-10-17/h3-14H,15-16H2,1-2H3,(H2,25,26,27,28)
InChIKey
STQSBKDQCROVAA-UHFFFAOYSA-N
Compound name
2-N,4-N-dibenzyl-6,7-dimethoxyquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

400.1899 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.19718 197.0
[M+Na]+ 423.17912 203.2
[M-H]- 399.18262 204.4
[M+NH4]+ 418.22372 204.9
[M+K]+ 439.15306 196.6
[M+H-H2O]+ 383.18716 184.2
[M+HCOO]- 445.18810 218.2
[M+CH3COO]- 459.20375 205.5
[M+Na-2H]- 421.16457 203.8
[M]+ 400.18935 199.1
[M]- 400.19045 199.1
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