CID 5777496

Brn 0772181

Structural Information

Molecular Formula
C26H33N5O3
SMILES
CCN(CC)CCCC(C)NC1=NC(=NC2=C1C=C(C=C2)OC)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C26H33N5O3/c1-5-30(6-2)17-7-8-19(3)27-26-23-18-22(34-4)14-15-24(23)28-25(29-26)16-11-20-9-12-21(13-10-20)31(32)33/h9-16,18-19H,5-8,17H2,1-4H3,(H,27,28,29)/b16-11+
InChIKey
DLKLIWAWENTKNR-LFIBNONCSA-N
Compound name
1-N,1-N-diethyl-4-N-[6-methoxy-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-yl]pentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.25833 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.26561 216.2
[M+Na]+ 486.24755 218.1
[M-H]- 462.25105 221.1
[M+NH4]+ 481.29215 221.5
[M+K]+ 502.22149 209.1
[M+H-H2O]+ 446.25559 208.2
[M+HCOO]- 508.25653 235.9
[M+CH3COO]- 522.27218 241.0
[M+Na-2H]- 484.23300 219.6
[M]+ 463.25778 218.6
[M]- 463.25888 218.6
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.