CID 5278888

Schembl2089983

Structural Information

Molecular Formula
C28H35N5O4
SMILES
CCCC1=CC=C(C=C1)N(C)C2CCN(CC2)C3=CC=C(C=C3)OC[C@]4(CN5C=C(N=C5O4)[N+](=O)[O-])C
InChI
InChI=1S/C28H35N5O4/c1-4-5-21-6-8-22(9-7-21)30(3)23-14-16-31(17-15-23)24-10-12-25(13-11-24)36-20-28(2)19-32-18-26(33(34)35)29-27(32)37-28/h6-13,18,23H,4-5,14-17,19-20H2,1-3H3/t28-/m1/s1
InChIKey
FKSLRDHBDOJPFW-MUUNZHRXSA-N
Compound name
N-methyl-1-[4-[[(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methoxy]phenyl]-N-(4-propylphenyl)piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

505.2689 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.27618 221.4
[M+Na]+ 528.25812 222.5
[M-H]- 504.26162 232.2
[M+NH4]+ 523.30272 227.1
[M+K]+ 544.23206 215.3
[M+H-H2O]+ 488.26616 213.2
[M+HCOO]- 550.26710 236.4
[M+CH3COO]- 564.28275 241.4
[M+Na-2H]- 526.24357 221.0
[M]+ 505.26835 220.2
[M]- 505.26945 220.2
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

No patent data available for this compound.