CID 25419362

49647-11-2

Structural Information

Molecular Formula
C26H22N2O
SMILES
CC(=O)C1=CN=C(C=C1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H22N2O/c1-20(29)21-17-18-25(27-19-21)28-26(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-19H,1H3,(H,27,28)
InChIKey
HSUMLJTXYCMQJM-UHFFFAOYSA-N
Compound name
1-[6-(tritylamino)pyridin-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.17322 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.18050 192.7
[M+Na]+ 401.16244 196.7
[M-H]- 377.16594 202.8
[M+NH4]+ 396.20704 201.0
[M+K]+ 417.13638 189.6
[M+H-H2O]+ 361.17048 180.8
[M+HCOO]- 423.17142 212.5
[M+CH3COO]- 437.18707 201.2
[M+Na-2H]- 399.14789 198.6
[M]+ 378.17267 189.8
[M]- 378.17377 189.8
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.