CID 2803918

Oprea1_458094

Structural Information

Molecular Formula
C23H28N2O5
SMILES
CC1=C(C=C2C(=C1[N+](=O)[O-])C(CC2(C)C)(C)C)NC(=O)C3=C(C=CC=C3OC)OC
InChI
InChI=1S/C23H28N2O5/c1-13-15(24-21(26)18-16(29-6)9-8-10-17(18)30-7)11-14-19(20(13)25(27)28)23(4,5)12-22(14,2)3/h8-11H,12H2,1-7H3,(H,24,26)
InChIKey
AKKFSQAKFVHZJI-UHFFFAOYSA-N
Compound name
2,6-dimethoxy-N-(1,1,3,3,6-pentamethyl-7-nitro-2H-inden-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

412.19983 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.207106 195.4
[M+Na]+ 435.189048 203.0
[M-H]- 411.192554 203.7
[M+NH4]+ 430.233653 212.2
[M+K]+ 451.162988 196.1
[M+H-H2O]+ 395.197090 193.7
[M+HCOO]- 457.198031 217.1
[M+CH3COO]- 471.213681 225.8
[M+Na-2H]- 433.174496 198.3
[M]+ 412.19928142 200.0
[M]- 412.20037858 200.0
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

No patent data available for this compound.