CID 3063138

T-butyloxycarbonyl-tyrosyl-prolinal

Structural Information

Molecular Formula
C19H26N2O5
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C=O
InChI
InChI=1S/C19H26N2O5/c1-19(2,3)26-18(25)20-16(11-13-6-8-15(23)9-7-13)17(24)21-10-4-5-14(21)12-22/h6-9,12,14,16,23H,4-5,10-11H2,1-3H3,(H,20,25)/t14-,16-/m0/s1
InChIKey
ZFZNTIHHWQTRQS-HOCLYGCPSA-N
Compound name
tert-butyl N-[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

362.18417 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.19145 185.7
[M+Na]+ 385.17339 191.6
[M+NH4]+ 380.21799 188.9
[M+K]+ 401.14733 191.2
[M-H]- 361.17689 184.6
[M+Na-2H]- 383.15884 187.1
[M]+ 362.18362 185.5
[M]- 362.18472 185.5
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