CID 97292

N2-trityl-l-arginine

Structural Information

Molecular Formula
C25H28N4O2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N[C@@H](CCCN=C(N)N)C(=O)O
InChI
InChI=1S/C25H28N4O2/c26-24(27)28-18-10-17-22(23(30)31)29-25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,22,29H,10,17-18H2,(H,30,31)(H4,26,27,28)/t22-/m0/s1
InChIKey
XOPFDFWTKCSBGX-QFIPXVFZSA-N
Compound name
(2S)-5-(diaminomethylideneamino)-2-(tritylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

416.22122 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.228496 198.5
[M+Na]+ 439.210438 197.8
[M-H]- 415.213944 205.4
[M+NH4]+ 434.255043 205.2
[M+K]+ 455.184378 193.2
[M+H-H2O]+ 399.218480 187.8
[M+HCOO]- 461.219421 219.3
[M+CH3COO]- 475.235071 235.0
[M+Na-2H]- 437.195886 201.2
[M]+ 416.22067142 193.0
[M]- 416.22176858 193.0
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