CID 7022352

H-gly-trp-beta-na hcl

Structural Information

Molecular Formula
C23H22N4O2
SMILES
C1=CC=C2C=C(C=CC2=C1)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)CN
InChI
InChI=1S/C23H22N4O2/c24-13-22(28)27-21(12-17-14-25-20-8-4-3-7-19(17)20)23(29)26-18-10-9-15-5-1-2-6-16(15)11-18/h1-11,14,21,25H,12-13,24H2,(H,26,29)(H,27,28)/t21-/m0/s1
InChIKey
OCFNAQIEUDCHBL-NRFANRHFSA-N
Compound name
(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)-N-naphthalen-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

386.1743 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.18158 192.7
[M+Na]+ 409.16352 203.3
[M+NH4]+ 404.20812 199.1
[M+K]+ 425.13746 198.4
[M-H]- 385.16702 197.3
[M+Na-2H]- 407.14897 198.8
[M]+ 386.17375 195.2
[M]- 386.17485 195.2
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