CID 71310070

N-[4-(4-aminobenzyl)phenyl]-5-norbornene-2,3-dicarboximide

Structural Information

Molecular Formula
C22H20N2O2
SMILES
C1[C@@H]2C=C[C@H]1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N
InChI
InChI=1S/C22H20N2O2/c23-17-7-1-13(2-8-17)11-14-3-9-18(10-4-14)24-21(25)19-15-5-6-16(12-15)20(19)22(24)26/h1-10,15-16,19-20H,11-12,23H2/t15-,16+,19?,20?
InChIKey
SXKBQLZMICXHNV-BANKROOTSA-N
Compound name
(1R,7S)-4-[4-[(4-aminophenyl)methyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

344.15247 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.159746 181.5
[M+Na]+ 367.141688 190.2
[M-H]- 343.145194 191.4
[M+NH4]+ 362.186293 201.1
[M+K]+ 383.115628 183.7
[M+H-H2O]+ 327.149730 175.2
[M+HCOO]- 389.150671 201.8
[M+CH3COO]- 403.166321 192.9
[M+Na-2H]- 365.127136 178.5
[M]+ 344.15192142 181.5
[M]- 344.15301858 181.5
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.