CID 20055371

5,22-dihydroporphyrin

Structural Information

Molecular Formula
C20H16N4
SMILES
C1C2=CC=C(N2)/C=C\3/C=C/C(=C/C4=N/C(=C\C5=CC=C1N5)/C=C4)/N3
InChI
InChI=1S/C20H16N4/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14/h1-11,21,23-24H,12H2/b13-9-,14-10-,17-11-
InChIKey
IQDRAVRWQIIASA-VZPOTTSCSA-N
Compound name
(10Z,14Z,19Z)-5,21,22,23-tetrahydroporphyrin
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

658
Patents

312.13748 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.144756 159.8
[M+Na]+ 335.126698 171.3
[M-H]- 311.130204 157.5
[M+NH4]+ 330.171303 177.9
[M+K]+ 351.100638 166.2
[M+H-H2O]+ 295.134740 158.1
[M+HCOO]- 357.135681 175.7
[M+CH3COO]- 371.151331 170.1
[M+Na-2H]- 333.112146 163.5
[M]+ 312.13693142 162.5
[M]- 312.13802858 162.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe