CID 3084726

Neocitrullamon

Structural Information

Molecular Formula
C20H21N3O4
SMILES
C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CCCC(C(=O)O)N)C3=CC=CC=C3
InChI
InChI=1S/C20H21N3O4/c21-16(17(24)25)12-7-13-23-18(26)20(22-19(23)27,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13,21H2,(H,22,27)(H,24,25)
InChIKey
PAJBBDCZSMDSFL-UHFFFAOYSA-N
Compound name
2-amino-5-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

96
Patents

367.1532 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.16048 186.9
[M+Na]+ 390.14242 196.1
[M+NH4]+ 385.18702 192.2
[M+K]+ 406.11636 191.8
[M-H]- 366.14592 188.7
[M+Na-2H]- 388.12787 192.9
[M]+ 367.15265 188.3
[M]- 367.15375 188.3
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