CID 101887323

1448522-46-0

Structural Information

Molecular Formula
C30H34N4O2
SMILES
CC(C)C1COC(=N1)C2=CC=CC=C2NC3=CC=CC=C3NC4=CC=CC=C4C5=NC(CO5)C(C)C
InChI
InChI=1S/C30H34N4O2/c1-19(2)27-17-35-29(33-27)21-11-5-7-13-23(21)31-25-15-9-10-16-26(25)32-24-14-8-6-12-22(24)30-34-28(18-36-30)20(3)4/h5-16,19-20,27-28,31-32H,17-18H2,1-4H3
InChIKey
VFOZTAVXRHGQSV-UHFFFAOYSA-N
Compound name
1-N,2-N-bis[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

482.2682 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.27548 222.8
[M+Na]+ 505.25742 236.2
[M+NH4]+ 500.30202 229.1
[M+K]+ 521.23136 232.4
[M-H]- 481.26092 234.9
[M+Na-2H]- 503.24287 231.4
[M]+ 482.26765 228.2
[M]- 482.26875 228.2
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

patents stripe