CID 385063

Nsc675991

Structural Information

Molecular Formula
C22H19N2O2
SMILES
CN(C)C1=CC=C(C=C1)C2=C(C3=C(C2=O)C=CC(=C3)[N+]4=CC=CC=C4)O
InChI
InChI=1S/C22H18N2O2/c1-23(2)16-8-6-15(7-9-16)20-21(25)18-11-10-17(14-19(18)22(20)26)24-12-4-3-5-13-24/h3-14H,1-2H3/p+1
InChIKey
PZMZCXCNGKCBBJ-UHFFFAOYSA-O
Compound name
2-[4-(dimethylamino)phenyl]-3-hydroxy-5-pyridin-1-ium-1-ylinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.14465 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.15193 185.5
[M+Na]+ 366.13387 193.9
[M-H]- 342.13737 196.0
[M+NH4]+ 361.17847 199.4
[M+K]+ 382.10781 182.7
[M+H-H2O]+ 326.14191 178.5
[M+HCOO]- 388.14285 207.5
[M+CH3COO]- 402.15850 210.1
[M+Na-2H]- 364.11932 189.8
[M]+ 343.14410 186.1
[M]- 343.14520 186.1
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.