CID 2761462

(2s)-2-cyclopropyl-2-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)acetic acid

Structural Information

Molecular Formula
C20H19NO4
SMILES
C1CC1[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C20H19NO4/c22-19(23)18(12-9-10-12)21-20(24)25-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17-18H,9-11H2,(H,21,24)(H,22,23)/t18-/m0/s1
InChIKey
YMLZBPTXRMNAFP-SFHVURJKSA-N
Compound name
(2S)-2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

337.1314 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.13868 172.3
[M+Na]+ 360.12062 179.2
[M-H]- 336.12412 179.5
[M+NH4]+ 355.16522 183.5
[M+K]+ 376.09456 174.0
[M+H-H2O]+ 320.12866 166.0
[M+HCOO]- 382.12960 191.3
[M+CH3COO]- 396.14525 212.8
[M+Na-2H]- 358.10607 174.5
[M]+ 337.13085 176.0
[M]- 337.13195 176.0
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