CID 5278895

4-piperidinamine, 1-[4-[[(2r)-2,3-dihydro-2-methyl-6-nitroimidazo[2,1-b]oxazol-2-yl]methoxy]phenyl]-n-methyl-n-[[4-(2-methylpropyl)phenyl]methyl]-

Structural Information

Molecular Formula
C30H39N5O4
SMILES
CC(C)CC1=CC=C(C=C1)CN(C)C2CCN(CC2)C3=CC=C(C=C3)OC[C@]4(CN5C=C(N=C5O4)[N+](=O)[O-])C
InChI
InChI=1S/C30H39N5O4/c1-22(2)17-23-5-7-24(8-6-23)18-32(4)25-13-15-33(16-14-25)26-9-11-27(12-10-26)38-21-30(3)20-34-19-28(35(36)37)31-29(34)39-30/h5-12,19,22,25H,13-18,20-21H2,1-4H3/t30-/m1/s1
InChIKey
FGRCZRFFEXDRBJ-SSEXGKCCSA-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-(2-methylpropyl)phenyl]methyl]piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

533.30023 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 534.30751 229.4
[M+Na]+ 556.28945 229.2
[M-H]- 532.29295 239.9
[M+NH4]+ 551.33405 233.9
[M+K]+ 572.26339 222.3
[M+H-H2O]+ 516.29749 221.3
[M+HCOO]- 578.29843 242.8
[M+CH3COO]- 592.31408 247.8
[M+Na-2H]- 554.27490 227.2
[M]+ 533.29968 228.3
[M]- 533.30078 228.3
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.