CID 9570570

Brn 0442984

Structural Information

Molecular Formula
C20H25ClN4O2
SMILES
CCN(CC)CCO/N=C(\C)/C1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)Cl
InChI
InChI=1S/C20H25ClN4O2/c1-4-25(5-2)13-14-27-24-15(3)16-8-10-17(11-9-16)23-20(26)18-7-6-12-22-19(18)21/h6-12H,4-5,13-14H2,1-3H3,(H,23,26)/b24-15+
InChIKey
NORZPLOJGNKPSU-BUVRLJJBSA-N
Compound name
2-chloro-N-[4-[(E)-N-[2-(diethylamino)ethoxy]-C-methylcarbonimidoyl]phenyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1666 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.17388 194.0
[M+Na]+ 411.15582 205.3
[M+NH4]+ 406.20042 200.0
[M+K]+ 427.12976 197.8
[M-H]- 387.15932 198.7
[M+Na-2H]- 409.14127 201.2
[M]+ 388.16605 196.9
[M]- 388.16715 196.9
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.