CID 92275211

2402789-85-7

Structural Information

Molecular Formula
C18H23N3O5
SMILES
CC(C)(C)OC(=O)NCC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C18H23N3O5/c1-18(2,3)26-17(25)20-10-15(22)21-14(16(23)24)8-11-9-19-13-7-5-4-6-12(11)13/h4-7,9,14,19H,8,10H2,1-3H3,(H,20,25)(H,21,22)(H,23,24)/t14-/m1/s1
InChIKey
WRPLZGOCZPJKHO-CQSZACIVSA-N
Compound name
(2R)-3-(1H-indol-3-yl)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.16376 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.17104 184.9
[M+Na]+ 384.15298 188.3
[M-H]- 360.15648 185.3
[M+NH4]+ 379.19758 196.5
[M+K]+ 400.12692 186.2
[M+H-H2O]+ 344.16102 177.7
[M+HCOO]- 406.16196 202.2
[M+CH3COO]- 420.17761 214.0
[M+Na-2H]- 382.13843 186.4
[M]+ 361.16321 186.3
[M]- 361.16431 186.3
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.