CID 6446018

Brn 4917299

Structural Information

Molecular Formula
C21H24N4O3
SMILES
CCN(CC)CCNC1=CC=CC2=C1N=C(C=C2)/C=C/C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C21H24N4O3/c1-3-24(4-2)15-14-22-19-7-5-6-16-8-9-17(23-21(16)19)10-11-18-12-13-20(28-18)25(26)27/h5-13,22H,3-4,14-15H2,1-2H3/b11-10+
InChIKey
YULMHDDMDPWKHH-ZHACJKMWSA-N
Compound name
N',N'-diethyl-N-[2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-yl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.18484 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.19212 193.0
[M+Na]+ 403.17406 197.8
[M-H]- 379.17756 201.1
[M+NH4]+ 398.21866 203.8
[M+K]+ 419.14800 190.1
[M+H-H2O]+ 363.18210 187.3
[M+HCOO]- 425.18304 218.2
[M+CH3COO]- 439.19869 221.5
[M+Na-2H]- 401.15951 199.2
[M]+ 380.18429 196.4
[M]- 380.18539 196.4
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.