CID 486825

Hmba-psi[co n(oh)]-gly-pro-nh tbu

Structural Information

Molecular Formula
C19H27N3O5
SMILES
CC1=C(C=CC=C1O)C(=O)N(CC(=O)N2CCC[C@@H]2C(=O)NC(C)(C)C)O
InChI
InChI=1S/C19H27N3O5/c1-12-13(7-5-9-15(12)23)18(26)22(27)11-16(24)21-10-6-8-14(21)17(25)20-19(2,3)4/h5,7,9,14,23,27H,6,8,10-11H2,1-4H3,(H,20,25)/t14-/m1/s1
InChIKey
YXYVMNXFISCYOM-CQSZACIVSA-N
Compound name
(2R)-N-tert-butyl-1-[2-[hydroxy-(3-hydroxy-2-methylbenzoyl)amino]acetyl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.19507 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.20235 189.0
[M+Na]+ 400.18429 191.4
[M-H]- 376.18779 192.9
[M+NH4]+ 395.22889 199.9
[M+K]+ 416.15823 190.6
[M+H-H2O]+ 360.19233 181.7
[M+HCOO]- 422.19327 204.9
[M+CH3COO]- 436.20892 221.2
[M+Na-2H]- 398.16974 185.9
[M]+ 377.19452 188.0
[M]- 377.19562 188.0
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.