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 229.1
[M+Na]+ 543.25192 230.2
[M-H]- 519.25542 241.7
[M+NH4]+ 538.29652 230.5
[M+K]+ 559.22586 221.4
[M+H-H2O]+ 503.25996 211.7
[M+HCOO]- 565.26090 247.6
[M+CH3COO]- 579.27655 233.8
[M+Na-2H]- 541.23737 233.8
[M]+ 520.26215 227.1
[M]- 520.26325 227.1
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.