CID 288764

Nsc150103

Structural Information

Molecular Formula
C22H19NO2
SMILES
C1CCC2(C1)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C25)C(=O)O
InChI
InChI=1S/C22H19NO2/c24-21(25)19-15-8-2-4-10-18(15)23-20-14-7-1-3-9-17(14)22(13-16(19)20)11-5-6-12-22/h1-4,7-10H,5-6,11-13H2,(H,24,25)
InChIKey
HIAJBTUOUSDOPS-UHFFFAOYSA-N
Compound name
spiro[6H-benzo[c]acridine-5,1'-cyclopentane]-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.14157 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.14885 178.6
[M+Na]+ 352.13079 186.3
[M-H]- 328.13429 183.9
[M+NH4]+ 347.17539 197.0
[M+K]+ 368.10473 179.0
[M+H-H2O]+ 312.13883 169.3
[M+HCOO]- 374.13977 192.3
[M+CH3COO]- 388.15542 188.3
[M+Na-2H]- 350.11624 182.6
[M]+ 329.14102 175.2
[M]- 329.14212 175.2
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

No patent data available for this compound.