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

98
Patents

408.17975 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.18703 194.4
[M+Na]+ 431.16897 196.6
[M-H]- 407.17247 199.9
[M+NH4]+ 426.21357 207.2
[M+K]+ 447.14291 188.5
[M+H-H2O]+ 391.17701 190.6
[M+HCOO]- 453.17795 218.4
[M+CH3COO]- 467.19360 226.8
[M+Na-2H]- 429.15442 202.5
[M]+ 408.17920 195.1
[M]- 408.18030 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