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

1
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

patents stripe