CID 4587494

H-gly-pro-leu-bna.hcl

Structural Information

Molecular Formula
C23H30N4O3
SMILES
CC(C)CC(C(=O)NC1=CC2=CC=CC=C2C=C1)NC(=O)C3CCCN3C(=O)CN
InChI
InChI=1S/C23H30N4O3/c1-15(2)12-19(26-23(30)20-8-5-11-27(20)21(28)14-24)22(29)25-18-10-9-16-6-3-4-7-17(16)13-18/h3-4,6-7,9-10,13,15,19-20H,5,8,11-12,14,24H2,1-2H3,(H,25,29)(H,26,30)
InChIKey
UFLMFGGTOSXVIA-UHFFFAOYSA-N
Compound name
1-(2-aminoacetyl)-N-[4-methyl-1-(naphthalen-2-ylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

410.23178 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.23906 199.9
[M+Na]+ 433.22100 205.1
[M+NH4]+ 428.26560 204.1
[M+K]+ 449.19494 203.4
[M-H]- 409.22450 202.0
[M+Na-2H]- 431.20645 201.6
[M]+ 410.23123 200.4
[M]- 410.23233 200.4
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