CID 171990391

Tolyporphin q

Structural Information

Molecular Formula

C₂₄H₂₂N₄O₂

SMILES

CC1=CC2=CC3=C([C@](C(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5)C)C(=C4)C)N3)(C)O)O

InChI

InChI=1S/C24H22N4O2/c1-12-7-17-10-22-24(4,30)23(29)21(28-22)9-16-6-14(3)20(26-16)11-19-13(2)5-15(25-19)8-18(12)27-17/h5-11,28-30H,1-4H3/t24-/m1/s1

InChIKey

IGMFJOLZQYEPDF-XMMPIXPASA-N

Compound name

(2R)-2,8,12,17-tetramethyl-21H-porphyrin-2,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 398.1743 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	399.181576	192.9
[M+Na]+	421.163518	206.0
[M-H]-	397.167024	191.5
[M+NH4]+	416.208123	210.4
[M+K]+	437.137458	200.8
[M+H-H2O]+	381.171560	192.2
[M+HCOO]-	443.172501	205.8
[M+CH3COO]-	457.188151	202.1
[M+Na-2H]-	419.148966	191.4
[M]+	398.17375142	199.8
[M]-	398.17484858	199.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.