CID 374513

Nsc652264

Structural Information

Molecular Formula
C30H32N2O3
SMILES
CC(=O)C1=CC=C(C=C1)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=CC=CC=C65)C(C)(C)C
InChI
InChI=1S/C30H32N2O3/c1-16(33)17-9-12-19(13-10-17)32-28(34)25-22-15-18(30(2,3)4)11-14-20(22)24-21-7-5-6-8-23(21)31-27(24)26(25)29(32)35/h5-10,12-13,18,20,22,25-26,31H,11,14-15H2,1-4H3
InChIKey
ASEYMOCHRXPWDI-UHFFFAOYSA-N
Compound name
4-(4-acetylphenyl)-9-tert-butyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.2413 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.24858 220.1
[M+Na]+ 491.23052 226.6
[M-H]- 467.23402 226.1
[M+NH4]+ 486.27512 232.2
[M+K]+ 507.20446 218.6
[M+H-H2O]+ 451.23856 211.8
[M+HCOO]- 513.23950 226.9
[M+CH3COO]- 527.25515 226.4
[M+Na-2H]- 489.21597 214.8
[M]+ 468.24075 218.2
[M]- 468.24185 218.2
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.