CID 170520

Tris[4-(diethylamino)phenyl]amine

Structural Information

Molecular Formula
C30H42N4
SMILES
CCN(CC)C1=CC=C(C=C1)N(C2=CC=C(C=C2)N(CC)CC)C3=CC=C(C=C3)N(CC)CC
InChI
InChI=1S/C30H42N4/c1-7-31(8-2)25-13-19-28(20-14-25)34(29-21-15-26(16-22-29)32(9-3)10-4)30-23-17-27(18-24-30)33(11-5)12-6/h13-24H,7-12H2,1-6H3
InChIKey
HWNGZPYALGWORF-UHFFFAOYSA-N
Compound name
4-N,4-N-bis[4-(diethylamino)phenyl]-1-N,1-N-diethylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1381
Patents

458.34094 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.34822 223.3
[M+Na]+ 481.33016 223.6
[M-H]- 457.33366 236.2
[M+NH4]+ 476.37476 232.4
[M+K]+ 497.30410 221.3
[M+H-H2O]+ 441.33820 210.1
[M+HCOO]- 503.33914 248.9
[M+CH3COO]- 517.35479 261.4
[M+Na-2H]- 479.31561 221.6
[M]+ 458.34039 228.3
[M]- 458.34149 228.3
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