CID 59827197

1050501-64-8

Structural Information

Molecular Formula
C22H24N4O4
SMILES
C[C@](CCCCN=[N+]=[N-])(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C22H24N4O4/c1-22(20(27)28,12-6-7-13-24-26-23)25-21(29)30-14-19-17-10-4-2-8-15(17)16-9-3-5-11-18(16)19/h2-5,8-11,19H,6-7,12-14H2,1H3,(H,25,29)(H,27,28)/t22-/m0/s1
InChIKey
RMUCLSZPXSHUDT-QFIPXVFZSA-N
Compound name
(2S)-6-azido-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

408.17975 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.187026 194.4
[M+Na]+ 431.168968 196.6
[M-H]- 407.172474 199.9
[M+NH4]+ 426.213573 207.2
[M+K]+ 447.142908 188.5
[M+H-H2O]+ 391.177010 190.6
[M+HCOO]- 453.177951 218.4
[M+CH3COO]- 467.193601 226.8
[M+Na-2H]- 429.154416 202.5
[M]+ 408.17920142 195.1
[M]- 408.18029858 195.1
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