CID 6912775

Nsc373818

Structural Information

Molecular Formula
C36H38N8O2
SMILES
CN1C2=CC=CC=[N+]2C=C1COC3=CC=C(C=C3)/C=N/N4CCN(CC4)/N=C\C5=CC=C(C=C5)OCC6=C[N+]7=CC=CC=C7N6C
InChI
InChI=1S/C36H38N8O2/c1-39-31(25-41-17-5-3-7-35(39)41)27-45-33-13-9-29(10-14-33)23-37-43-19-21-44(22-20-43)38-24-30-11-15-34(16-12-30)46-28-32-26-42-18-6-4-8-36(42)40(32)2/h3-18,23-26H,19-22,27-28H2,1-2H3/q+2/b37-23-,38-24+
InChIKey
YOWDCUKIAAVYBQ-YEITWXIVSA-N
Compound name
(E)-1-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]-N-[4-[(Z)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]piperazin-1-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

614.31177 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 615.31905 254.6
[M+Na]+ 637.30099 258.2
[M-H]- 613.30449 266.6
[M+NH4]+ 632.34559 252.2
[M+K]+ 653.27493 238.5
[M+H-H2O]+ 597.30903 241.2
[M+HCOO]- 659.30997 268.8
[M+CH3COO]- 673.32562 255.1
[M+Na-2H]- 635.28644 258.2
[M]+ 614.31122 255.3
[M]- 614.31232 255.3
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.