CID 25146060

942518-20-9

Structural Information

Molecular Formula
C19H18N4O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CCN=[N+]=[N-])C(=O)O
InChI
InChI=1S/C19H18N4O4/c20-23-21-10-9-17(18(24)25)22-19(26)27-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H,22,26)(H,24,25)/t17-/m0/s1
InChIKey
CLEZARXVEABQBI-KRWDZBQOSA-N
Compound name
(2S)-4-azido-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

366.1328 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.14008 180.6
[M+Na]+ 389.12202 183.5
[M-H]- 365.12552 186.4
[M+NH4]+ 384.16662 194.9
[M+K]+ 405.09596 176.0
[M+H-H2O]+ 349.13006 176.7
[M+HCOO]- 411.13100 206.2
[M+CH3COO]- 425.14665 218.4
[M+Na-2H]- 387.10747 187.5
[M]+ 366.13225 180.2
[M]- 366.13335 180.2
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