CID 6862776

612047-90-2

Structural Information

Molecular Formula
C20H21N3O2
SMILES
C1CCC2=C(C1)C3=CC=CC=C3N2CCC(=O)N/N=C/C4=CC=CO4
InChI
InChI=1S/C20H21N3O2/c24-20(22-21-14-15-6-5-13-25-15)11-12-23-18-9-3-1-7-16(18)17-8-2-4-10-19(17)23/h1,3,5-7,9,13-14H,2,4,8,10-12H2,(H,22,24)/b21-14+
InChIKey
FXXQMJXQESCTGB-KGENOOAVSA-N
Compound name
N-[(E)-furan-2-ylmethylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.1634 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.17068 177.4
[M+Na]+ 358.15262 183.5
[M-H]- 334.15612 186.3
[M+NH4]+ 353.19722 193.6
[M+K]+ 374.12656 179.7
[M+H-H2O]+ 318.16066 168.9
[M+HCOO]- 380.16160 200.5
[M+CH3COO]- 394.17725 188.5
[M+Na-2H]- 356.13807 181.2
[M]+ 335.16285 179.3
[M]- 335.16395 179.3
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.