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 175.8
[M+Na]+ 321.20498 178.8
[M-H]- 297.20848 183.9
[M+NH4]+ 316.24958 190.3
[M+K]+ 337.17892 177.5
[M+H-H2O]+ 281.21302 166.5
[M+HCOO]- 343.21396 200.6
[M+CH3COO]- 357.22961 223.7
[M+Na-2H]- 319.19043 175.7
[M]+ 298.21521 173.6
[M]- 298.21631 173.6
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

patents stripe