CID 6446129

Brn 0767756

Structural Information

Molecular Formula
C21H22N4O3
SMILES
CCN(CC)C1=NC(=NC2=C1C=C(C=C2)OC)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C21H22N4O3/c1-4-24(5-2)21-18-14-17(28-3)11-12-19(18)22-20(23-21)13-8-15-6-9-16(10-7-15)25(26)27/h6-14H,4-5H2,1-3H3/b13-8+
InChIKey
FSDJAWHFNPQMEW-MDWZMJQESA-N
Compound name
N,N-diethyl-6-methoxy-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.1692 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.17648 191.9
[M+Na]+ 401.15842 197.5
[M-H]- 377.16192 197.8
[M+NH4]+ 396.20302 201.2
[M+K]+ 417.13236 188.7
[M+H-H2O]+ 361.16646 184.9
[M+HCOO]- 423.16740 213.4
[M+CH3COO]- 437.18305 220.8
[M+Na-2H]- 399.14387 198.0
[M]+ 378.16865 194.0
[M]- 378.16975 194.0
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.