CID 473608

Ak.181

Structural Information

Molecular Formula
C22H26N2O
SMILES
CC(C)NC1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(C=C3)NC(C)C
InChI
InChI=1S/C22H26N2O/c1-15(2)23-19-9-5-17(6-10-19)21-13-14-22(25-21)18-7-11-20(12-8-18)24-16(3)4/h5-16,23-24H,1-4H3
InChIKey
HCPUTAQOVWEEDD-UHFFFAOYSA-N
Compound name
N-propan-2-yl-4-[5-[4-(propan-2-ylamino)phenyl]furan-2-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.2045 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.21178 184.7
[M+Na]+ 357.19372 189.5
[M-H]- 333.19722 195.1
[M+NH4]+ 352.23832 198.0
[M+K]+ 373.16766 185.8
[M+H-H2O]+ 317.20176 175.8
[M+HCOO]- 379.20270 207.8
[M+CH3COO]- 393.21835 218.8
[M+Na-2H]- 355.17917 185.3
[M]+ 334.20395 185.4
[M]- 334.20505 185.4
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.