CID 66868

Porphine

Structural Information

Molecular Formula
C20H14N4
SMILES
C1=CC2=CC3=CC=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2
InChI
InChI=1S/C20H14N4/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/h1-12,21-22H
InChIKey
JZRYQZJSTWVBBD-UHFFFAOYSA-N
Compound name
21,22-dihydroporphyrin
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

93
References

33307
Patents

310.12186 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.12914 159.4
[M+Na]+ 333.11108 172.1
[M-H]- 309.11458 158.7
[M+NH4]+ 328.15568 178.3
[M+K]+ 349.08502 167.6
[M+H-H2O]+ 293.11912 157.5
[M+HCOO]- 355.12006 178.0
[M+CH3COO]- 369.13571 170.8
[M+Na-2H]- 331.09653 164.1
[M]+ 310.12131 164.9
[M]- 310.12241 164.9
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