CID 378544

Nsc661178

Structural Information

Molecular Formula
C24H27NO4
SMILES
CC1C(=C2CN(CCC2C3=C1C(=O)C4=CC=CC=C4C3=O)C(=O)OCC(C)C)C
InChI
InChI=1S/C24H27NO4/c1-13(2)12-29-24(28)25-10-9-16-19(11-25)14(3)15(4)20-21(16)23(27)18-8-6-5-7-17(18)22(20)26/h5-8,13,15-16H,9-12H2,1-4H3
InChIKey
QFENZYCUJSYIED-UHFFFAOYSA-N
Compound name
2-methylpropyl 5,6-dimethyl-7,12-dioxo-2,4,6,12b-tetrahydro-1H-naphtho[2,3-f]isoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.194 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.20128 194.7
[M+Na]+ 416.18322 201.2
[M-H]- 392.18672 198.5
[M+NH4]+ 411.22782 207.8
[M+K]+ 432.15716 196.5
[M+H-H2O]+ 376.19126 185.7
[M+HCOO]- 438.19220 204.9
[M+CH3COO]- 452.20785 228.6
[M+Na-2H]- 414.16867 193.2
[M]+ 393.19345 195.3
[M]- 393.19455 195.3
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.