CID 135483713

Manganese(3+), (acetato-o)[[4,4',4''-[20-[4-(trimethylammonio)phenyl]-21h,23h-porphine-5,10,15-triyl]tris[1-methylpyridiniumnato]](2-)-n21,n22,n23,n24]-, (sp-5-13)-

Structural Information

Molecular Formula
C47H44N8
SMILES
C[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)C)C8=CC=[N+](C=C8)C)C=C4)C9=CC=C(C=C9)[N+](C)(C)C)N3
InChI
InChI=1S/C47H43N8/c1-52-25-19-32(20-26-52)45-38-13-11-36(48-38)44(31-7-9-35(10-8-31)55(4,5)6)37-12-14-39(49-37)46(33-21-27-53(2)28-22-33)41-16-18-43(51-41)47(42-17-15-40(45)50-42)34-23-29-54(3)30-24-34/h7-30H,1-6H3,(H,48,49,50,51)/q+3/p+1
InChIKey
SPXCHMJCRFXKLN-UHFFFAOYSA-O
Compound name
trimethyl-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin-5-yl]phenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

720.3689 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 721.37618 244.3
[M+Na]+ 743.35812 247.1
[M-H]- 719.36162 253.4
[M+NH4]+ 738.40272 241.1
[M+K]+ 759.33206 223.8
[M+H-H2O]+ 703.36616 242.8
[M+HCOO]- 765.36710 250.1
[M+CH3COO]- 779.38275 252.1
[M+Na-2H]- 741.34357 250.0
[M]+ 720.36835 245.4
[M]- 720.36945 245.4
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.