CID 135574827

32537-43-2

Structural Information

Molecular Formula
C25H31N3
SMILES
C1C2CC3CC1CC(C2)NC3=NCCN(CC4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C25H31N3/c1-3-7-19(8-4-1)18-28(24-9-5-2-6-10-24)12-11-26-25-22-14-20-13-21(15-22)17-23(16-20)27-25/h1-10,20-23H,11-18H2,(H,26,27)
InChIKey
VUNYZYRJFXIWNQ-UHFFFAOYSA-N
Compound name
N-[2-(4-azatricyclo[4.3.1.13,8]undecan-5-ylideneamino)ethyl]-N-benzylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.2518 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.25908 193.0
[M+Na]+ 396.24102 197.6
[M-H]- 372.24452 197.7
[M+NH4]+ 391.28562 207.9
[M+K]+ 412.21496 191.7
[M+H-H2O]+ 356.24906 190.2
[M+HCOO]- 418.25000 201.9
[M+CH3COO]- 432.26565 199.0
[M+Na-2H]- 394.22647 200.6
[M]+ 373.25125 190.3
[M]- 373.25235 190.3
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.