CID 3079383

125583-35-9

Structural Information

Molecular Formula
C25H22N2OP
SMILES
C[N+]1=CC=CC(=C1)C(=O)N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H22N2OP/c1-27-19-11-12-21(20-27)25(28)26-29(22-13-5-2-6-14-22,23-15-7-3-8-16-23)24-17-9-4-10-18-24/h2-20H,1H3/q+1
InChIKey
HWUJAXZOBLFCMB-UHFFFAOYSA-N
Compound name
1-methyl-N-(triphenyl-lambda5-phosphanylidene)pyridin-1-ium-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.14697 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.15425 202.4
[M+Na]+ 420.13619 206.0
[M-H]- 396.13969 212.8
[M+NH4]+ 415.18079 210.6
[M+K]+ 436.11013 194.3
[M+H-H2O]+ 380.14423 190.1
[M+HCOO]- 442.14517 228.2
[M+CH3COO]- 456.16082 218.4
[M+Na-2H]- 418.12164 206.7
[M]+ 397.14642 199.2
[M]- 397.14752 199.2
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.