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

20
Patents

298.21576 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.223036 175.8
[M+Na]+ 321.204978 178.8
[M-H]- 297.208484 183.9
[M+NH4]+ 316.249583 190.3
[M+K]+ 337.178918 177.5
[M+H-H2O]+ 281.213020 166.5
[M+HCOO]- 343.213961 200.6
[M+CH3COO]- 357.229611 223.7
[M+Na-2H]- 319.190426 175.7
[M]+ 298.21521142 173.6
[M]- 298.21630858 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