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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.18158 192.9
[M+Na]+ 421.16352 206.0
[M-H]- 397.16702 191.5
[M+NH4]+ 416.20812 210.4
[M+K]+ 437.13746 200.8
[M+H-H2O]+ 381.17156 192.2
[M+HCOO]- 443.17250 205.8
[M+CH3COO]- 457.18815 202.1
[M+Na-2H]- 419.14897 191.4
[M]+ 398.17375 199.8
[M]- 398.17485 199.8
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.