CID 6446372

4-quinazolinamine, 7-chloro-n,n-diethyl-2-(2-(4-nitrophenyl)ethenyl)-

Structural Information

Molecular Formula
C20H19ClN4O2
SMILES
CCN(CC)C1=NC(=NC2=C1C=CC(=C2)Cl)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H19ClN4O2/c1-3-24(4-2)20-17-11-8-15(21)13-18(17)22-19(23-20)12-7-14-5-9-16(10-6-14)25(26)27/h5-13H,3-4H2,1-2H3/b12-7+
InChIKey
ADSCEUCRQATJQH-KPKJPENVSA-N
Compound name
7-chloro-N,N-diethyl-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.11966 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.126936 191.6
[M+Na]+ 405.108878 198.3
[M-H]- 381.112384 197.1
[M+NH4]+ 400.153483 201.7
[M+K]+ 421.082818 187.8
[M+H-H2O]+ 365.116920 185.6
[M+HCOO]- 427.117861 208.6
[M+CH3COO]- 441.133511 219.3
[M+Na-2H]- 403.094326 197.3
[M]+ 382.11911142 194.4
[M]- 382.12020858 194.4
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

No patent data available for this compound.