CID 204738

Quinazoline, 2,4-bis(dibenzylamino)-

Structural Information

Molecular Formula
C36H32N4
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=NC(=NC4=CC=CC=C43)N(CC5=CC=CC=C5)CC6=CC=CC=C6
InChI
InChI=1S/C36H32N4/c1-5-15-29(16-6-1)25-39(26-30-17-7-2-8-18-30)35-33-23-13-14-24-34(33)37-36(38-35)40(27-31-19-9-3-10-20-31)28-32-21-11-4-12-22-32/h1-24H,25-28H2
InChIKey
HHDMBLCMRWXBHT-UHFFFAOYSA-N
Compound name
2-N,2-N,4-N,4-N-tetrabenzylquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

520.2627 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.26998 234.9
[M+Na]+ 543.25192 254.4
[M+NH4]+ 538.29652 243.7
[M+K]+ 559.22586 240.3
[M-H]- 519.25542 248.6
[M+Na-2H]- 541.23737 251.4
[M]+ 520.26215 242.1
[M]- 520.26325 242.1
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

No patent data available for this compound.