CID 207899

Brn 5145802

Structural Information

Molecular Formula
C29H37N3O
SMILES
CC1=C(C(=CC=C1)N=C(C2=CC=CC=C2)NC3=CC=C(C=C3)OCCN(C(C)C)C(C)C)C
InChI
InChI=1S/C29H37N3O/c1-21(2)32(22(3)4)19-20-33-27-17-15-26(16-18-27)30-29(25-12-8-7-9-13-25)31-28-14-10-11-23(5)24(28)6/h7-18,21-22H,19-20H2,1-6H3,(H,30,31)
InChIKey
CFWSYWPDFJAIFK-UHFFFAOYSA-N
Compound name
N'-(2,3-dimethylphenyl)-N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

443.29367 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.30095 217.4
[M+Na]+ 466.28289 229.5
[M+NH4]+ 461.32749 224.4
[M+K]+ 482.25683 220.5
[M-H]- 442.28639 226.0
[M+Na-2H]- 464.26834 226.6
[M]+ 443.29312 221.6
[M]- 443.29422 221.6
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

No patent data available for this compound.