CID 2741458

Hms2784p13

Structural Information

Molecular Formula
C18H21N5O
SMILES
CN1CCN(CC1)C2=CC=CC=C2C=NNC(=O)C3=CN=CC=C3
InChI
InChI=1S/C18H21N5O/c1-22-9-11-23(12-10-22)17-7-3-2-5-15(17)14-20-21-18(24)16-6-4-8-19-13-16/h2-8,13-14H,9-12H2,1H3,(H,21,24)
InChIKey
GWFAFMMDWZWCKQ-UHFFFAOYSA-N
Compound name
N-[[2-(4-methylpiperazin-1-yl)phenyl]methylideneamino]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

323.17462 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.181896 177.9
[M+Na]+ 346.163838 181.8
[M-H]- 322.167344 183.7
[M+NH4]+ 341.208443 186.9
[M+K]+ 362.137778 176.7
[M+H-H2O]+ 306.171880 165.4
[M+HCOO]- 368.172821 196.9
[M+CH3COO]- 382.188471 186.4
[M+Na-2H]- 344.149286 182.5
[M]+ 323.17407142 173.3
[M]- 323.17516858 173.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.