CID 7017974

Boc-asn(xan)-oh

Structural Information

Molecular Formula
C22H24N2O6
SMILES
CC(C)(C)OC(=O)N[C@@H](CC(=O)NC1C2=CC=CC=C2OC3=CC=CC=C13)C(=O)O
InChI
InChI=1S/C22H24N2O6/c1-22(2,3)30-21(28)23-15(20(26)27)12-18(25)24-19-13-8-4-6-10-16(13)29-17-11-7-5-9-14(17)19/h4-11,15,19H,12H2,1-3H3,(H,23,28)(H,24,25)(H,26,27)/t15-/m0/s1
InChIKey
YMGDQLXBNMRJMR-HNNXBMFYSA-N
Compound name
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(9H-xanthen-9-ylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.16342 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.17070 195.0
[M+Na]+ 435.15264 202.6
[M+NH4]+ 430.19724 199.0
[M+K]+ 451.12658 200.1
[M-H]- 411.15614 196.2
[M+Na-2H]- 433.13809 196.1
[M]+ 412.16287 195.9
[M]- 412.16397 195.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.