CID 154165

Tolyporphin j

Structural Information

Molecular Formula
C24H22N4O4
SMILES
CC1=CC2=CC3=NC(=CC4=CC(=C(N4)C=C5C(=O)C(C(=N5)C=C1N2)(C)O)C)C(C3=O)(C)O
InChI
InChI=1S/C24H22N4O4/c1-11-6-14-8-19-23(3,31)21(29)17(27-19)7-13-5-12(2)16(25-13)10-20-24(4,32)22(30)18(28-20)9-15(11)26-14/h5-10,25-26,31-32H,1-4H3
InChIKey
KDTTYUOOJRPMSG-UHFFFAOYSA-N
Compound name
3,13-dihydroxy-3,7,13,18-tetramethyl-22,24-dihydroporphyrin-2,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

430.1641 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.17138 199.2
[M+Na]+ 453.15332 213.5
[M-H]- 429.15682 197.2
[M+NH4]+ 448.19792 216.6
[M+K]+ 469.12726 207.8
[M+H-H2O]+ 413.16136 199.3
[M+HCOO]- 475.16230 210.9
[M+CH3COO]- 489.17795 208.0
[M+Na-2H]- 451.13877 198.7
[M]+ 430.16355 206.6
[M]- 430.16465 206.6
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.