CID 9556893

612047-98-0

Structural Information

Molecular Formula
C21H23N3O2
SMILES
C/C(=N\NC(=O)CCN1C2=C(CCCC2)C3=CC=CC=C31)/C4=CC=CO4
InChI
InChI=1S/C21H23N3O2/c1-15(20-11-6-14-26-20)22-23-21(25)12-13-24-18-9-4-2-7-16(18)17-8-3-5-10-19(17)24/h2,4,6-7,9,11,14H,3,5,8,10,12-13H2,1H3,(H,23,25)/b22-15+
InChIKey
HGPPYUYJRLLLIH-PXLXIMEGSA-N
Compound name
N-[(E)-1-(furan-2-yl)ethylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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]+ 350.186296 183.1
[M+Na]+ 372.168238 188.4
[M-H]- 348.171744 192.0
[M+NH4]+ 367.212843 198.7
[M+K]+ 388.142178 185.0
[M+H-H2O]+ 332.176280 174.7
[M+HCOO]- 394.177221 204.8
[M+CH3COO]- 408.192871 193.6
[M+Na-2H]- 370.153686 185.3
[M]+ 349.17847142 184.8
[M]- 349.17956858 184.8
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

No patent data available for this compound.