CID 45050931

853344-60-2

Structural Information

Molecular Formula
C23H28ClN3
SMILES
CC(=NC1=C(C=C(C=C1)Cl)C(N2CCCC2)N3CCCC3)C4=CC=CC=C4
InChI
InChI=1S/C23H28ClN3/c1-18(19-9-3-2-4-10-19)25-22-12-11-20(24)17-21(22)23(26-13-5-6-14-26)27-15-7-8-16-27/h2-4,9-12,17,23H,5-8,13-16H2,1H3
InChIKey
LIEBEIAQKLEAOH-UHFFFAOYSA-N
Compound name
N-[4-chloro-2-(dipyrrolidin-1-ylmethyl)phenyl]-1-phenylethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.19717 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.20445 196.4
[M+Na]+ 404.18639 199.0
[M-H]- 380.18989 206.2
[M+NH4]+ 399.23099 208.8
[M+K]+ 420.16033 192.4
[M+H-H2O]+ 364.19443 184.9
[M+HCOO]- 426.19537 209.5
[M+CH3COO]- 440.21102 204.3
[M+Na-2H]- 402.17184 190.9
[M]+ 381.19662 192.5
[M]- 381.19772 192.5
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.