CID 159481

Quinoprazine

Structural Information

Molecular Formula
C25H26N4
SMILES
CCN1CCN(CC1)C2=CC=C(C=C2)NC3=CC=NC4=CC5=CC=CC=C5C=C34
InChI
InChI=1S/C25H26N4/c1-2-28-13-15-29(16-14-28)22-9-7-21(8-10-22)27-24-11-12-26-25-18-20-6-4-3-5-19(20)17-23(24)25/h3-12,17-18H,2,13-16H2,1H3,(H,26,27)
InChIKey
FGVVQTVRBTWGJA-UHFFFAOYSA-N
Compound name
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzo[g]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

15
Patents

382.21576 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.22304 195.1
[M+Na]+ 405.20498 201.3
[M-H]- 381.20848 201.1
[M+NH4]+ 400.24958 203.4
[M+K]+ 421.17892 192.2
[M+H-H2O]+ 365.21302 181.2
[M+HCOO]- 427.21396 209.8
[M+CH3COO]- 441.22961 202.5
[M+Na-2H]- 403.19043 201.2
[M]+ 382.21521 191.5
[M]- 382.21631 191.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe