CID 137235288

Telitacicept

Structural Information

Molecular Formula
C44H26I4N4
SMILES
C1=CC(=CC(=C1)I)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC(=CC=C7)I)C8=CC(=CC=C8)I)C=C4)C9=CC(=CC=C9)I)N3
InChI
InChI=1S/C44H26I4N4/c45-29-9-1-5-25(21-29)41-33-13-15-35(49-33)42(26-6-2-10-30(46)22-26)37-17-19-39(51-37)44(28-8-4-12-32(48)24-28)40-20-18-38(52-40)43(36-16-14-34(41)50-36)27-7-3-11-31(47)23-27/h1-24,49,52H
InChIKey
BIHWRSWVZVTYDW-UHFFFAOYSA-N
Compound name
5,10,15,20-tetrakis(3-iodophenyl)-21,23-dihydroporphyrin
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

27
References

0
Patents

1117.8336 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1118.8409 274.9
[M+Na]+ 1140.8228 262.8
[M-H]- 1116.8263 267.5
[M+NH4]+ 1135.8674 267.4
[M+K]+ 1156.7968 270.2
[M+H-H2O]+ 1100.8309 262.1
[M+HCOO]- 1162.8318 269.1
[M+CH3COO]- 1176.8475 264.3
[M+Na-2H]- 1138.8083 251.8
[M]+ 1117.8331 267.7
[M]- 1117.8341 267.7
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.