CID 3076228

Brn 4238224

Structural Information

Molecular Formula
C22H35N3O2
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)O[C@@H]2CCCC[C@H]2CN3CCN(CC3)C)C
InChI
InChI=1S/C22H35N3O2/c1-16-13-17(2)21(18(3)14-16)23-22(26)27-20-8-6-5-7-19(20)15-25-11-9-24(4)10-12-25/h13-14,19-20H,5-12,15H2,1-4H3,(H,23,26)/t19-,20+/m0/s1
InChIKey
DOZZUJABKKZXTH-VQTJNVASSA-N
Compound name
[(1R,2S)-2-[(4-methylpiperazin-1-yl)methyl]cyclohexyl] N-(2,4,6-trimethylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.27292 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.28020 196.5
[M+Na]+ 396.26214 207.0
[M+NH4]+ 391.30674 202.9
[M+K]+ 412.23608 199.9
[M-H]- 372.26564 201.4
[M+Na-2H]- 394.24759 201.1
[M]+ 373.27237 199.1
[M]- 373.27347 199.1
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.