CID 54649

80785-10-0

Structural Information

Molecular Formula
C29H37N3O2
SMILES
CC(C)N(CCCOC1=CC=C(C=C1)N=C(C2=CC=CC=C2)NC3=CC=C(C=C3)OC)C(C)C
InChI
InChI=1S/C29H37N3O2/c1-22(2)32(23(3)4)20-9-21-34-28-18-14-26(15-19-28)31-29(24-10-7-6-8-11-24)30-25-12-16-27(33-5)17-13-25/h6-8,10-19,22-23H,9,20-21H2,1-5H3,(H,30,31)
InChIKey
OYXUGQWYGGBANC-UHFFFAOYSA-N
Compound name
N'-[4-[3-[di(propan-2-yl)amino]propoxy]phenyl]-N-(4-methoxyphenyl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.28857 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.29585 219.6
[M+Na]+ 482.27779 219.6
[M-H]- 458.28129 229.9
[M+NH4]+ 477.32239 227.3
[M+K]+ 498.25173 216.7
[M+H-H2O]+ 442.28583 207.2
[M+HCOO]- 504.28677 242.4
[M+CH3COO]- 518.30242 249.7
[M+Na-2H]- 480.26324 218.2
[M]+ 459.28802 222.8
[M]- 459.28912 222.8
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.