CID 170522

47862-55-5

Structural Information

Molecular Formula
C42H66N4
SMILES
CCCCN(CCCC)C1=CC=C(C=C1)N(C2=CC=C(C=C2)N(CCCC)CCCC)C3=CC=C(C=C3)N(CCCC)CCCC
InChI
InChI=1S/C42H66N4/c1-7-13-31-43(32-14-8-2)37-19-25-40(26-20-37)46(41-27-21-38(22-28-41)44(33-15-9-3)34-16-10-4)42-29-23-39(24-30-42)45(35-17-11-5)36-18-12-6/h19-30H,7-18,31-36H2,1-6H3
InChIKey
NWRHGRHCMGHVQN-UHFFFAOYSA-N
Compound name
1-N,1-N-dibutyl-4-N,4-N-bis[4-(dibutylamino)phenyl]benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

626.52875 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 627.53603 276.0
[M+Na]+ 649.51797 285.4
[M+NH4]+ 644.56257 281.5
[M+K]+ 665.49191 272.8
[M-H]- 625.52147 285.8
[M+Na-2H]- 647.50342 283.0
[M]+ 626.52820 280.2
[M]- 626.52930 280.2
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