CID 66476

Solvent red 52

Structural Information

Molecular Formula
C24H18N2O2
SMILES
CC1=CC=C(C=C1)NC2=C3C4=C(C=C2)N(C(=O)C=C4C5=CC=CC=C5C3=O)C
InChI
InChI=1S/C24H18N2O2/c1-14-7-9-15(10-8-14)25-19-11-12-20-22-18(13-21(27)26(20)2)16-5-3-4-6-17(16)24(28)23(19)22/h3-13,25H,1-2H3
InChIKey
VJUKWPOWHJITTP-UHFFFAOYSA-N
Compound name
14-methyl-10-(4-methylanilino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

2311
Patents

366.13684 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.14412 188.9
[M+Na]+ 389.12606 199.2
[M-H]- 365.12956 196.7
[M+NH4]+ 384.17066 202.9
[M+K]+ 405.10000 191.8
[M+H-H2O]+ 349.13410 177.8
[M+HCOO]- 411.13504 207.1
[M+CH3COO]- 425.15069 199.2
[M+Na-2H]- 387.11151 195.2
[M]+ 366.13629 191.3
[M]- 366.13739 191.3
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.