CID 57468031

1052707-21-7

Structural Information

Molecular Formula
C18H26N4
SMILES
CN(C)C1=CC=C(C=C1)[C@@H]([C@H](C2=CC=C(C=C2)N(C)C)N)N
InChI
InChI=1S/C18H26N4/c1-21(2)15-9-5-13(6-10-15)17(19)18(20)14-7-11-16(12-8-14)22(3)4/h5-12,17-18H,19-20H2,1-4H3/t17-,18-/m0/s1
InChIKey
XSUOYNMDPIEXBN-ROUUACIJSA-N
Compound name
(1S,2S)-1,2-bis[4-(dimethylamino)phenyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

298.21576 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.22304 176.4
[M+Na]+ 321.20498 186.1
[M+NH4]+ 316.24958 184.1
[M+K]+ 337.17892 180.4
[M-H]- 297.20848 183.2
[M+Na-2H]- 319.19043 183.9
[M]+ 298.21521 179.5
[M]- 298.21631 179.5
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

patents stripe