CID 385772

Nsc677166

Structural Information

Molecular Formula
C21H17N3O2
SMILES
CN1C2=CC=CC=C2C(=NNC3=CC=CC(=C3)C(=O)O)C4=CC=CC=C41
InChI
InChI=1S/C21H17N3O2/c1-24-18-11-4-2-9-16(18)20(17-10-3-5-12-19(17)24)23-22-15-8-6-7-14(13-15)21(25)26/h2-13,22H,1H3,(H,25,26)
InChIKey
TVCIJDBKELBLJP-UHFFFAOYSA-N
Compound name
3-[2-(10-methylacridin-9-ylidene)hydrazinyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.13208 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.13936 178.8
[M+Na]+ 366.12130 187.9
[M-H]- 342.12480 186.5
[M+NH4]+ 361.16590 192.0
[M+K]+ 382.09524 181.5
[M+H-H2O]+ 326.12934 168.6
[M+HCOO]- 388.13028 201.8
[M+CH3COO]- 402.14593 189.7
[M+Na-2H]- 364.10675 187.5
[M]+ 343.13153 180.5
[M]- 343.13263 180.5
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.