CID 32119

23892-36-6

Structural Information

Molecular Formula
C21H29ClN2
SMILES
CCCN(CCC)CCNC(C1=CC=CC=C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C21H29ClN2/c1-3-15-24(16-4-2)17-14-23-21(18-8-6-5-7-9-18)19-10-12-20(22)13-11-19/h5-13,21,23H,3-4,14-17H2,1-2H3
InChIKey
KJRAEILQLCJHTD-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)-phenylmethyl]-N',N'-dipropylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.20193 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.20921 187.6
[M+Na]+ 367.19115 191.0
[M-H]- 343.19465 194.0
[M+NH4]+ 362.23575 201.5
[M+K]+ 383.16509 185.3
[M+H-H2O]+ 327.19919 178.8
[M+HCOO]- 389.20013 206.5
[M+CH3COO]- 403.21578 221.7
[M+Na-2H]- 365.17660 189.3
[M]+ 344.20138 191.1
[M]- 344.20248 191.1
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.