CID 54639

80785-01-9

Structural Information

Molecular Formula
C30H39N3O
SMILES
CCCCN(CCCC)CCCOC1=CC=C(C=C1)N=C(C2=CC=CC=C2)NC3=CC=CC=C3
InChI
InChI=1S/C30H39N3O/c1-3-5-22-33(23-6-4-2)24-13-25-34-29-20-18-28(19-21-29)32-30(26-14-9-7-10-15-26)31-27-16-11-8-12-17-27/h7-12,14-21H,3-6,13,22-25H2,1-2H3,(H,31,32)
InChIKey
NLOMHYGAAXBGRI-UHFFFAOYSA-N
Compound name
N'-[4-[3-(dibutylamino)propoxy]phenyl]-N-phenylbenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.30933 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.31661 219.3
[M+Na]+ 480.29855 218.7
[M-H]- 456.30205 228.7
[M+NH4]+ 475.34315 227.0
[M+K]+ 496.27249 213.4
[M+H-H2O]+ 440.30659 206.3
[M+HCOO]- 502.30753 243.5
[M+CH3COO]- 516.32318 247.6
[M+Na-2H]- 478.28400 220.3
[M]+ 457.30878 222.1
[M]- 457.30988 222.1
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

No patent data available for this compound.