CID 213847

Quinazoline, 2,4-dianilino-

Structural Information

Molecular Formula
C20H16N4
SMILES
C1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)NC4=CC=CC=C4
InChI
InChI=1S/C20H16N4/c1-3-9-15(10-4-1)21-19-17-13-7-8-14-18(17)23-20(24-19)22-16-11-5-2-6-12-16/h1-14H,(H2,21,22,23,24)
InChIKey
VNPWQZPLOBAPPO-UHFFFAOYSA-N
Compound name
2-N,4-N-diphenylquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

17
Patents

312.13748 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14476 170.8
[M+Na]+ 335.12670 177.6
[M-H]- 311.13020 178.2
[M+NH4]+ 330.17130 182.1
[M+K]+ 351.10064 170.1
[M+H-H2O]+ 295.13474 159.2
[M+HCOO]- 357.13568 193.3
[M+CH3COO]- 371.15133 180.9
[M+Na-2H]- 333.11215 181.4
[M]+ 312.13693 168.3
[M]- 312.13803 168.3
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