CID 2529557

546116-78-3

Structural Information

Molecular Formula
C11H16ClN3O
SMILES
CN(C)CCCNC(=O)C1=C(N=CC=C1)Cl
InChI
InChI=1S/C11H16ClN3O/c1-15(2)8-4-7-14-11(16)9-5-3-6-13-10(9)12/h3,5-6H,4,7-8H2,1-2H3,(H,14,16)
InChIKey
ZZGIOUHJZRAVSA-UHFFFAOYSA-N
Compound name
2-chloro-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

241.09819 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.10547 154.5
[M+Na]+ 264.08741 161.2
[M-H]- 240.09091 157.8
[M+NH4]+ 259.13201 171.7
[M+K]+ 280.06135 158.4
[M+H-H2O]+ 224.09545 147.4
[M+HCOO]- 286.09639 174.5
[M+CH3COO]- 300.11204 199.4
[M+Na-2H]- 262.07286 159.1
[M]+ 241.09764 157.8
[M]- 241.09874 157.8
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

patents stripe