CID 11556854

2-chloro-n-[2-[4-(3,3-dimethylbut-1-ynyl)phenyl]phenyl]pyridine-3-carboxamide

Structural Information

Molecular Formula
C24H21ClN2O
SMILES
CC(C)(C)C#CC1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C3=C(N=CC=C3)Cl
InChI
InChI=1S/C24H21ClN2O/c1-24(2,3)15-14-17-10-12-18(13-11-17)19-7-4-5-9-21(19)27-23(28)20-8-6-16-26-22(20)25/h4-13,16H,1-3H3,(H,27,28)
InChIKey
DEJXAAYBTRKZCO-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-[4-(3,3-dimethylbut-1-ynyl)phenyl]phenyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

999
Patents

388.13425 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.14153 203.0
[M+Na]+ 411.12347 212.6
[M-H]- 387.12697 207.4
[M+NH4]+ 406.16807 211.7
[M+K]+ 427.09741 202.0
[M+H-H2O]+ 371.13151 187.3
[M+HCOO]- 433.13245 212.4
[M+CH3COO]- 447.14810 225.0
[M+Na-2H]- 409.10892 203.2
[M]+ 388.13370 198.4
[M]- 388.13480 198.4
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