CID 14094550

Manganese(iii) sulfonatoporphyrin

Structural Information

Molecular Formula
C20H14N4O3S
SMILES
C1=CC2=CC3=CC(=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2)S(=O)(=O)O
InChI
InChI=1S/C20H14N4O3S/c25-28(26,27)20-11-18-9-16-4-3-14(22-16)7-12-1-2-13(21-12)8-15-5-6-17(23-15)10-19(20)24-18/h1-11,22,24H,(H,25,26,27)
InChIKey
MAALUHKWIJIUQW-UHFFFAOYSA-N
Compound name
21,22-dihydroporphyrin-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.07867 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.08595 182.6
[M+Na]+ 413.06789 196.7
[M-H]- 389.07139 182.0
[M+NH4]+ 408.11249 199.1
[M+K]+ 429.04183 194.3
[M+H-H2O]+ 373.07593 185.1
[M+HCOO]- 435.07687 195.0
[M+CH3COO]- 449.09252 193.0
[M+Na-2H]- 411.05334 186.9
[M]+ 390.07812 192.6
[M]- 390.07922 192.6
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

No patent data available for this compound.