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 195.2
[M+Na]+ 411.15582 199.6
[M-H]- 387.15932 202.4
[M+NH4]+ 406.20042 206.3
[M+K]+ 427.12976 195.7
[M+H-H2O]+ 371.16386 185.1
[M+HCOO]- 433.16480 215.5
[M+CH3COO]- 447.18045 232.0
[M+Na-2H]- 409.14127 196.9
[M]+ 388.16605 201.0
[M]- 388.16715 201.0
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.