CID 6446372

Brn 0767337

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]+ 383.12694 191.6
[M+Na]+ 405.10888 198.3
[M-H]- 381.11238 197.1
[M+NH4]+ 400.15348 201.7
[M+K]+ 421.08282 187.8
[M+H-H2O]+ 365.11692 185.6
[M+HCOO]- 427.11786 208.6
[M+CH3COO]- 441.13351 219.3
[M+Na-2H]- 403.09433 197.3
[M]+ 382.11911 194.4
[M]- 382.12021 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.