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 188.2
[M+Na]+ 409.16352 192.4
[M-H]- 385.16702 193.5
[M+NH4]+ 404.20812 199.6
[M+K]+ 425.13746 186.3
[M+H-H2O]+ 369.17156 179.0
[M+HCOO]- 431.17250 208.6
[M+CH3COO]- 445.18815 196.4
[M+Na-2H]- 407.14897 192.1
[M]+ 386.17375 186.2
[M]- 386.17485 186.2
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