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 216.9
[M+Na]+ 466.28289 218.1
[M-H]- 442.28639 227.7
[M+NH4]+ 461.32749 225.7
[M+K]+ 482.25683 214.4
[M+H-H2O]+ 426.29093 205.0
[M+HCOO]- 488.29187 239.5
[M+CH3COO]- 502.30752 248.9
[M+Na-2H]- 464.26834 214.6
[M]+ 443.29312 219.2
[M]- 443.29422 219.2
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.