CID 135542234

14945-24-5

Structural Information

Molecular Formula
C52H50N8
SMILES
CN(C)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)N(C)C)C8=CC=C(C=C8)N(C)C)C=C4)C9=CC=C(C=C9)N(C)C)N3
InChI
InChI=1S/C52H50N8/c1-57(2)37-17-9-33(10-18-37)49-41-25-27-43(53-41)50(34-11-19-38(20-12-34)58(3)4)45-29-31-47(55-45)52(36-15-23-40(24-16-36)60(7)8)48-32-30-46(56-48)51(44-28-26-42(49)54-44)35-13-21-39(22-14-35)59(5)6/h9-32,53,56H,1-8H3
InChIKey
ONCMAEBURQZDQU-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-[10,15,20-tris[4-(dimethylamino)phenyl]-21,23-dihydroporphyrin-5-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

786.41583 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 787.42311 248.2
[M+Na]+ 809.40505 250.3
[M-H]- 785.40855 262.9
[M+NH4]+ 804.44965 247.8
[M+K]+ 825.37899 247.7
[M+H-H2O]+ 769.41309 241.9
[M+HCOO]- 831.41403 263.8
[M+CH3COO]- 845.42968 251.7
[M+Na-2H]- 807.39050 244.2
[M]+ 786.41528 256.7
[M]- 786.41638 256.7
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.