CID 270298

32225-38-0

Structural Information

Molecular Formula
C25H27NO2
SMILES
CC(C)CC(C(=O)O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C25H27NO2/c1-19(2)18-23(24(27)28)26-25(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19,23,26H,18H2,1-2H3,(H,27,28)
InChIKey
UHUHDVGYLSYYGD-UHFFFAOYSA-N
Compound name
4-methyl-2-(tritylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

8
Patents

373.2042 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.21148 194.5
[M+Na]+ 396.19342 206.9
[M+NH4]+ 391.23802 201.6
[M+K]+ 412.16736 199.4
[M-H]- 372.19692 200.3
[M+Na-2H]- 394.17887 204.4
[M]+ 373.20365 198.0
[M]- 373.20475 198.0
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