CID 120171

Tetrophan

Structural Information

Molecular Formula
C18H13NO2
SMILES
C1CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C41)C(=O)O
InChI
InChI=1S/C18H13NO2/c20-18(21)16-13-7-3-4-8-15(13)19-17-12-6-2-1-5-11(12)9-10-14(16)17/h1-8H,9-10H2,(H,20,21)
InChIKey
QWNOQAWEROHNNQ-UHFFFAOYSA-N
Compound name
5,6-dihydrobenzo[c]acridine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

23
Patents

275.09464 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.10192 160.3
[M+Na]+ 298.08386 168.7
[M-H]- 274.08736 163.7
[M+NH4]+ 293.12846 177.1
[M+K]+ 314.05780 162.7
[M+H-H2O]+ 258.09190 151.8
[M+HCOO]- 320.09284 176.2
[M+CH3COO]- 334.10849 171.2
[M+Na-2H]- 296.06931 168.3
[M]+ 275.09409 159.2
[M]- 275.09519 159.2
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