CID 44474460

1189357-49-0

Structural Information

Molecular Formula
C19H17NO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC/C=C/C(=O)O
InChI
InChI=1S/C19H17NO4/c21-18(22)10-5-11-20-19(23)24-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-10,17H,11-12H2,(H,20,23)(H,21,22)/b10-5+
InChIKey
HYYMVIMUHHNZEV-BJMVGYQFSA-N
Compound name
(E)-4-(9H-fluoren-9-ylmethoxycarbonylamino)but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.11575 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.12303 174.6
[M+Na]+ 346.10497 180.7
[M-H]- 322.10847 178.3
[M+NH4]+ 341.14957 191.4
[M+K]+ 362.07891 176.0
[M+H-H2O]+ 306.11301 167.8
[M+HCOO]- 368.11395 195.0
[M+CH3COO]- 382.12960 206.9
[M+Na-2H]- 344.09042 177.7
[M]+ 323.11520 176.6
[M]- 323.11630 176.6
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

No patent data available for this compound.