CID 32120

23892-37-7

Structural Information

Molecular Formula
C23H33ClN2
SMILES
CCCCN(CCCC)CCNC(C1=CC=CC=C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C23H33ClN2/c1-3-5-17-26(18-6-4-2)19-16-25-23(20-10-8-7-9-11-20)21-12-14-22(24)15-13-21/h7-15,23,25H,3-6,16-19H2,1-2H3
InChIKey
SMATYJPXVOZGNR-UHFFFAOYSA-N
Compound name
N',N'-dibutyl-N-[(4-chlorophenyl)-phenylmethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.23322 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.24050 196.7
[M+Na]+ 395.22244 199.2
[M-H]- 371.22594 202.6
[M+NH4]+ 390.26704 209.4
[M+K]+ 411.19638 193.0
[M+H-H2O]+ 355.23048 187.5
[M+HCOO]- 417.23142 214.9
[M+CH3COO]- 431.24707 227.5
[M+Na-2H]- 393.20789 197.2
[M]+ 372.23267 200.8
[M]- 372.23377 200.8
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.