CID 473607

Ak.193

Structural Information

Molecular Formula
C22H22N2O
SMILES
C1CC1NC2=CC=C(C=C2)C3=CC=C(O3)C4=CC=C(C=C4)NC5CC5
InChI
InChI=1S/C22H22N2O/c1-5-17(23-19-9-10-19)6-2-15(1)21-13-14-22(25-21)16-3-7-18(8-4-16)24-20-11-12-20/h1-8,13-14,19-20,23-24H,9-12H2
InChIKey
DCGIPCDQHZWTCF-UHFFFAOYSA-N
Compound name
N-cyclopropyl-4-[5-[4-(cyclopropylamino)phenyl]furan-2-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.17322 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.18050 164.3
[M+Na]+ 353.16244 170.6
[M-H]- 329.16594 178.9
[M+NH4]+ 348.20704 167.6
[M+K]+ 369.13638 167.8
[M+H-H2O]+ 313.17048 157.9
[M+HCOO]- 375.17142 187.3
[M+CH3COO]- 389.18707 174.0
[M+Na-2H]- 351.14789 167.7
[M]+ 330.17267 167.5
[M]- 330.17377 167.5
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.