CID 174082

2-(dibenzylamino)acetic acid

Structural Information

Molecular Formula
C16H17NO2
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC(=O)O
InChI
InChI=1S/C16H17NO2/c18-16(19)13-17(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,19)
InChIKey
QDWVRVNMKUFQJL-UHFFFAOYSA-N
Compound name
2-(dibenzylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

174
Patents

255.12593 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13321 159.2
[M+Na]+ 278.11515 163.6
[M-H]- 254.11865 165.2
[M+NH4]+ 273.15975 174.9
[M+K]+ 294.08909 160.6
[M+H-H2O]+ 238.12319 151.0
[M+HCOO]- 300.12413 182.5
[M+CH3COO]- 314.13978 197.8
[M+Na-2H]- 276.10060 164.1
[M]+ 255.12538 159.1
[M]- 255.12648 159.1
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