CID 208987

19060-74-3

Structural Information

Molecular Formula
C35H32N6O5
SMILES
C[N+]1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=C[N+](=CC=C5)C)OC
InChI
InChI=1S/C35H30N6O5/c1-40-18-4-6-28(21-40)38-32(42)23-8-13-26(14-9-23)36-34(44)25-12-17-30(31(20-25)46-3)35(45)37-27-15-10-24(11-16-27)33(43)39-29-7-5-19-41(2)22-29/h4-22H,1-3H3,(H2-2,36,37,38,39,42,43,44,45)/p+2
InChIKey
WMQLWBVZRWRVPJ-UHFFFAOYSA-P
Compound name
2-methoxy-1-N,4-N-bis[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

616.2434 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 617.25068 252.4
[M+Na]+ 639.23262 251.2
[M-H]- 615.23612 264.4
[M+NH4]+ 634.27722 247.2
[M+K]+ 655.20656 236.0
[M+H-H2O]+ 599.24066 241.3
[M+HCOO]- 661.24160 269.4
[M+CH3COO]- 675.25725 257.6
[M+Na-2H]- 637.21807 257.0
[M]+ 616.24285 249.3
[M]- 616.24395 249.3
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.