CID 3051299

Vufb-10608

Structural Information

Molecular Formula
C24H31NO
SMILES
CC(C)N(CC1=CC=CC=C1)COCC2=C3CCCC3=CC4=C2CCC4
InChI
InChI=1S/C24H31NO/c1-18(2)25(15-19-8-4-3-5-9-19)17-26-16-24-22-12-6-10-20(22)14-21-11-7-13-23(21)24/h3-5,8-9,14,18H,6-7,10-13,15-17H2,1-2H3
InChIKey
PUUDOVQMIZVEOH-UHFFFAOYSA-N
Compound name
N-benzyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethoxymethyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.24057 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.24785 190.2
[M+Na]+ 372.22979 193.3
[M-H]- 348.23329 198.7
[M+NH4]+ 367.27439 208.7
[M+K]+ 388.20373 188.8
[M+H-H2O]+ 332.23783 182.2
[M+HCOO]- 394.23877 209.9
[M+CH3COO]- 408.25442 199.8
[M+Na-2H]- 370.21524 188.1
[M]+ 349.24002 190.8
[M]- 349.24112 190.8
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.