CID 489566

Akos003938130

Structural Information

Molecular Formula
C21H23N3O2
SMILES
COC1=CC=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)CN4CCCCC4
InChI
InChI=1S/C21H23N3O2/c1-26-17-11-9-16(10-12-17)22-20-18-7-3-4-8-19(18)24(21(20)25)15-23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-15H2,1H3
InChIKey
AOVSSDRLCDYJGP-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.17902 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.18630 184.3
[M+Na]+ 372.16824 189.8
[M-H]- 348.17174 192.6
[M+NH4]+ 367.21284 197.2
[M+K]+ 388.14218 184.3
[M+H-H2O]+ 332.17628 173.1
[M+HCOO]- 394.17722 202.9
[M+CH3COO]- 408.19287 193.8
[M+Na-2H]- 370.15369 185.1
[M]+ 349.17847 181.8
[M]- 349.17957 181.8
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.