CID 7019069

2-(2-((((9h-fluoren-9-yl)methoxy)carbonyl)amino)acetamido)acetic acid

Structural Information

Molecular Formula
C19H18N2O5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC(=O)NCC(=O)O
InChI
InChI=1S/C19H18N2O5/c22-17(20-10-18(23)24)9-21-19(25)26-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,20,22)(H,21,25)(H,23,24)
InChIKey
FBKUOPULLUJMOC-UHFFFAOYSA-N
Compound name
2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

882
Patents

354.12158 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.12886 179.3
[M+Na]+ 377.11080 183.8
[M-H]- 353.11430 182.9
[M+NH4]+ 372.15540 194.1
[M+K]+ 393.08474 180.7
[M+H-H2O]+ 337.11884 172.1
[M+HCOO]- 399.11978 199.8
[M+CH3COO]- 413.13543 215.4
[M+Na-2H]- 375.09625 182.2
[M]+ 354.12103 181.4
[M]- 354.12213 181.4
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