CID 9658193

N-(2-(2-(9-anthrylmethylene)hydrazino)-2-oxoethyl)tetradecanamide

Structural Information

Molecular Formula
C31H41N3O2
SMILES
CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/C1=C2C=CC=CC2=CC3=CC=CC=C31
InChI
InChI=1S/C31H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-21-30(35)32-24-31(36)34-33-23-29-27-19-15-13-17-25(27)22-26-18-14-16-20-28(26)29/h13-20,22-23H,2-12,21,24H2,1H3,(H,32,35)(H,34,36)/b33-23+
InChIKey
BBUQWEYXFPHADU-GZZLJNBRSA-N
Compound name
N-[2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]tetradecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.3199 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.32718 225.7
[M+Na]+ 510.30912 226.5
[M-H]- 486.31262 229.4
[M+NH4]+ 505.35372 234.3
[M+K]+ 526.28306 219.7
[M+H-H2O]+ 470.31716 214.3
[M+HCOO]- 532.31810 246.8
[M+CH3COO]- 546.33375 252.7
[M+Na-2H]- 508.29457 227.5
[M]+ 487.31935 231.3
[M]- 487.32045 231.3
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.