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

2477
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

literature stripe

Patent stripe

patents stripe