CID 59532445

1247119-36-3

Structural Information

Molecular Formula
C19H32N4O4S
SMILES
CCOC(=O)[C@H](CCN1CCOCC1)NC(=O)N(C)CC2=CSC(=N2)C(C)C
InChI
InChI=1S/C19H32N4O4S/c1-5-27-18(24)16(6-7-23-8-10-26-11-9-23)21-19(25)22(4)12-15-13-28-17(20-15)14(2)3/h13-14,16H,5-12H2,1-4H3,(H,21,25)/t16-/m0/s1
InChIKey
VUQXPFUEFMHJPV-INIZCTEOSA-N
Compound name
ethyl (2S)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-ylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

412.21442 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.22170 201.7
[M+Na]+ 435.20364 201.7
[M-H]- 411.20714 206.1
[M+NH4]+ 430.24824 209.8
[M+K]+ 451.17758 202.0
[M+H-H2O]+ 395.21168 192.3
[M+HCOO]- 457.21262 212.2
[M+CH3COO]- 471.22827 229.5
[M+Na-2H]- 433.18909 196.2
[M]+ 412.21387 204.9
[M]- 412.21497 204.9
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