CID 102189174

Cyclo(l-arg-l-trp)

Structural Information

Molecular Formula
C17H22N6O2
SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@H]3C(=O)N[C@H](C(=O)N3)CCCN=C(N)N
InChI
InChI=1S/C17H22N6O2/c18-17(19)20-7-3-6-13-15(24)23-14(16(25)22-13)8-10-9-21-12-5-2-1-4-11(10)12/h1-2,4-5,9,13-14,21H,3,6-8H2,(H,22,25)(H,23,24)(H4,18,19,20)/t13-,14-/m0/s1
InChIKey
YARVCVUEYLGDJV-KBPBESRZSA-N
Compound name
2-[3-[(2S,5S)-5-(1H-indol-3-ylmethyl)-3,6-dioxopiperazin-2-yl]propyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.18042 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.18770 179.2
[M+Na]+ 365.16964 184.3
[M-H]- 341.17314 179.5
[M+NH4]+ 360.21424 188.6
[M+K]+ 381.14358 177.2
[M+H-H2O]+ 325.17768 169.8
[M+HCOO]- 387.17862 195.2
[M+CH3COO]- 401.19427 214.6
[M+Na-2H]- 363.15509 179.7
[M]+ 342.17987 171.9
[M]- 342.18097 171.9
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

No patent data available for this compound.