CID 7408287

H-his(trt)-oh

Structural Information

Molecular Formula
C25H23N3O2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)C[C@@H](C(=O)O)N
InChI
InChI=1S/C25H23N3O2/c26-23(24(29)30)16-22-17-28(18-27-22)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17-18,23H,16,26H2,(H,29,30)/t23-/m0/s1
InChIKey
BSZQZNOAYQCQFZ-QHCPKHFHSA-N
Compound name
(2S)-2-amino-3-(1-tritylimidazol-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

397.17902 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.18630 194.6
[M+Na]+ 420.16824 197.8
[M-H]- 396.17174 202.5
[M+NH4]+ 415.21284 201.7
[M+K]+ 436.14218 191.4
[M+H-H2O]+ 380.17628 183.4
[M+HCOO]- 442.17722 211.6
[M+CH3COO]- 456.19287 202.1
[M+Na-2H]- 418.15369 196.4
[M]+ 397.17847 191.1
[M]- 397.17957 191.1
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

patents stripe