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
1
Annotation Hits

0
References

10
Patents

416.22122 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.22850 198.5
[M+Na]+ 439.21044 197.8
[M-H]- 415.21394 205.4
[M+NH4]+ 434.25504 205.2
[M+K]+ 455.18438 193.2
[M+H-H2O]+ 399.21848 187.8
[M+HCOO]- 461.21942 219.3
[M+CH3COO]- 475.23507 235.0
[M+Na-2H]- 437.19589 201.2
[M]+ 416.22067 193.0
[M]- 416.22177 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