CID 23554

7165-63-1

Structural Information

Molecular Formula
C22H30Cl2N2
SMILES
CC(CCCCC(C)NCC1=CC=CC=C1Cl)NCC2=CC=CC=C2Cl
InChI
InChI=1S/C22H30Cl2N2/c1-17(25-15-19-11-5-7-13-21(19)23)9-3-4-10-18(2)26-16-20-12-6-8-14-22(20)24/h5-8,11-14,17-18,25-26H,3-4,9-10,15-16H2,1-2H3
InChIKey
QZSFIPQJTYRURX-UHFFFAOYSA-N
Compound name
2-N,7-N-bis[(2-chlorophenyl)methyl]octane-2,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.17862 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.18590 197.8
[M+Na]+ 415.16784 201.8
[M-H]- 391.17134 202.2
[M+NH4]+ 410.21244 209.9
[M+K]+ 431.14178 193.7
[M+H-H2O]+ 375.17588 190.2
[M+HCOO]- 437.17682 209.9
[M+CH3COO]- 451.19247 227.1
[M+Na-2H]- 413.15329 197.0
[M]+ 392.17807 201.6
[M]- 392.17917 201.6
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.