CID 67941945

138585-02-1

Structural Information

Molecular Formula
C21H22N2O5
SMILES
CN(C)C(=O)C[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H22N2O5/c1-23(2)19(24)11-18(20(25)26)22-21(27)28-12-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17-18H,11-12H2,1-2H3,(H,22,27)(H,25,26)/t18-/m0/s1
InChIKey
VXKRBLOYXZGVTI-SFHVURJKSA-N
Compound name
(2S)-4-(dimethylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

382.15286 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.16014 188.7
[M+Na]+ 405.14208 196.0
[M+NH4]+ 400.18668 193.8
[M+K]+ 421.11602 194.3
[M-H]- 381.14558 189.3
[M+Na-2H]- 403.12753 190.2
[M]+ 382.15231 189.3
[M]- 382.15341 189.3
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