CID 141334060

Tolyporphin p

Structural Information

Molecular Formula
C24H22N4
SMILES
CC1=CC2=CC3=NC(=CC4=NC(=CC5=CC(=C(N5)C=C1N2)C)C(=C4)C)C(=C3)C
InChI
InChI=1S/C24H22N4/c1-13-5-17-9-18-6-15(3)23(26-18)12-24-16(4)8-20(28-24)11-22-14(2)7-19(27-22)10-21(13)25-17/h5-12,26,28H,1-4H3
InChIKey
LGQLDCHWRCVZEH-UHFFFAOYSA-N
Compound name
3,7,12,17-tetramethyl-21,22-dihydroporphyrin
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

366.18445 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.19173 184.5
[M+Na]+ 389.17367 198.5
[M-H]- 365.17717 184.5
[M+NH4]+ 384.21827 202.2
[M+K]+ 405.14761 192.7
[M+H-H2O]+ 349.18171 183.3
[M+HCOO]- 411.18265 201.3
[M+CH3COO]- 425.19830 195.0
[M+Na-2H]- 387.15912 184.1
[M]+ 366.18390 192.4
[M]- 366.18500 192.4
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

patents stripe