CID 221073

4,4'-((3-nitrophenyl)methylene)bis(n,n-dimethylaniline)

Structural Information

Molecular Formula
C23H25N3O2
SMILES
CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C23H25N3O2/c1-24(2)20-12-8-17(9-13-20)23(18-10-14-21(15-11-18)25(3)4)19-6-5-7-22(16-19)26(27)28/h5-16,23H,1-4H3
InChIKey
LKSBXXBXHWRXRR-UHFFFAOYSA-N
Compound name
4-[[4-(dimethylamino)phenyl]-(3-nitrophenyl)methyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

375.19467 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.20195 191.9
[M+Na]+ 398.18389 194.5
[M-H]- 374.18739 203.4
[M+NH4]+ 393.22849 202.7
[M+K]+ 414.15783 187.9
[M+H-H2O]+ 358.19193 185.4
[M+HCOO]- 420.19287 217.0
[M+CH3COO]- 434.20852 226.9
[M+Na-2H]- 396.16934 194.6
[M]+ 375.19412 191.6
[M]- 375.19522 191.6
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

patents stripe