CID 9573876

Nsc370656

Structural Information

Molecular Formula
C34H34N8
SMILES
CN1C(=C[N+]2=CC=CC=C12)C3=CC=C(C=C3)/C=N/N4CCN(CC4)/N=C/C5=CC=C(C=C5)C6=C[N+]7=CC=CC=C7N6C
InChI
InChI=1S/C34H34N8/c1-37-31(25-39-17-5-3-7-33(37)39)29-13-9-27(10-14-29)23-35-41-19-21-42(22-20-41)36-24-28-11-15-30(16-12-28)32-26-40-18-6-4-8-34(40)38(32)2/h3-18,23-26H,19-22H2,1-2H3/q+2/b35-23+,36-24+
InChIKey
AHKXQAWKPOLIQK-VJTPSNAYSA-N
Compound name
(E)-1-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]-N-[4-[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]piperazin-1-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

554.29065 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.29793 243.5
[M+Na]+ 577.27987 249.1
[M-H]- 553.28337 255.8
[M+NH4]+ 572.32447 243.8
[M+K]+ 593.25381 227.8
[M+H-H2O]+ 537.28791 230.6
[M+HCOO]- 599.28885 258.3
[M+CH3COO]- 613.30450 247.4
[M+Na-2H]- 575.26532 247.2
[M]+ 554.29010 241.7
[M]- 554.29120 241.7
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.