CID 2140104

N,n'-bis-(2,4-dimethyl-phenyl)-ethane-1,2-diamine

Structural Information

Molecular Formula
C18H24N2
SMILES
CC1=CC(=C(C=C1)NCCNC2=C(C=C(C=C2)C)C)C
InChI
InChI=1S/C18H24N2/c1-13-5-7-17(15(3)11-13)19-9-10-20-18-8-6-14(2)12-16(18)4/h5-8,11-12,19-20H,9-10H2,1-4H3
InChIKey
WOKBSWYORQQGMG-UHFFFAOYSA-N
Compound name
N,N'-bis(2,4-dimethylphenyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

268.19394 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.201216 165.7
[M+Na]+ 291.183158 172.7
[M-H]- 267.186664 172.7
[M+NH4]+ 286.227763 182.3
[M+K]+ 307.157098 167.8
[M+H-H2O]+ 251.191200 157.8
[M+HCOO]- 313.192141 190.8
[M+CH3COO]- 327.207791 208.5
[M+Na-2H]- 289.168606 169.5
[M]+ 268.19339142 166.4
[M]- 268.19448858 166.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe