CID 6446981

69258-64-6

Structural Information

Molecular Formula
C23H28ClN5O3
SMILES
CCN(CC)CCCC(C)NC1=NC(=NC2=C1C=CC(=C2)Cl)/C=C/C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C23H28ClN5O3/c1-4-28(5-2)14-6-7-16(3)25-23-19-11-8-17(24)15-20(19)26-21(27-23)12-9-18-10-13-22(32-18)29(30)31/h8-13,15-16H,4-7,14H2,1-3H3,(H,25,26,27)/b12-9+
InChIKey
QVACEKKZQPICRE-FMIVXFBMSA-N
Compound name
4-N-[7-chloro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

457.18808 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.19536 210.4
[M+Na]+ 480.17730 223.6
[M+NH4]+ 475.22190 215.8
[M+K]+ 496.15124 220.1
[M-H]- 456.18080 216.7
[M+Na-2H]- 478.16275 215.2
[M]+ 457.18753 214.1
[M]- 457.18863 214.1
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

patents stripe