CID 11518158

501010-05-5

Structural Information

Molecular Formula
C24H33N5O4
SMILES
CC1=C(N=CN1)CN2CCN([C@H](C2=O)CC3=CC=CC=C3)C(=O)N[C@@H](CC(C)C)C(=O)OC
InChI
InChI=1S/C24H33N5O4/c1-16(2)12-19(23(31)33-4)27-24(32)29-11-10-28(14-20-17(3)25-15-26-20)22(30)21(29)13-18-8-6-5-7-9-18/h5-9,15-16,19,21H,10-14H2,1-4H3,(H,25,26)(H,27,32)/t19-,21-/m0/s1
InChIKey
DWKYALWDWAYMTB-FPOVZHCZSA-N
Compound name
methyl (2S)-2-[[(2S)-2-benzyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]-3-oxopiperazine-1-carbonyl]amino]-4-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.25327 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.26055 211.6
[M+Na]+ 478.24249 213.3
[M-H]- 454.24599 214.1
[M+NH4]+ 473.28709 214.9
[M+K]+ 494.21643 209.1
[M+H-H2O]+ 438.25053 200.2
[M+HCOO]- 500.25147 222.0
[M+CH3COO]- 514.26712 234.5
[M+Na-2H]- 476.22794 205.0
[M]+ 455.25272 210.1
[M]- 455.25382 210.2
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.