CID 65106

Chlorin

Structural Information

Molecular Formula
C20H16N4
SMILES
C1CC2=NC1=CC3=CC=C(N3)C=C4C=CC(=N4)C=C5C=CC(=C2)N5
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/h1-6,9-12,22-23H,7-8H2
InChIKey
UGADAJMDJZPKQX-UHFFFAOYSA-N
Compound name
2,3,22,24-tetrahydroporphyrin
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

423
References

11549
Patents

312.13748 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14476 160.2
[M+Na]+ 335.12670 172.1
[M-H]- 311.13020 159.0
[M+NH4]+ 330.17130 179.0
[M+K]+ 351.10064 167.6
[M+H-H2O]+ 295.13474 158.1
[M+HCOO]- 357.13568 177.5
[M+CH3COO]- 371.15133 171.1
[M+Na-2H]- 333.11215 164.0
[M]+ 312.13693 164.4
[M]- 312.13803 164.4
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