CID 2756159

195387-29-2

Structural Information

Molecular Formula
C21H18N2O4
SMILES
CN1C=C(C=C1C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H18N2O4/c1-23-11-13(10-19(23)20(24)25)22-21(26)27-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-11,18H,12H2,1H3,(H,22,26)(H,24,25)
InChIKey
GHRPKWXGCOWBLD-UHFFFAOYSA-N
Compound name
4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

362.12665 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.13393 184.4
[M+Na]+ 385.11587 191.8
[M-H]- 361.11937 191.4
[M+NH4]+ 380.16047 200.1
[M+K]+ 401.08981 187.3
[M+H-H2O]+ 345.12391 177.1
[M+HCOO]- 407.12485 204.7
[M+CH3COO]- 421.14050 215.5
[M+Na-2H]- 383.10132 184.7
[M]+ 362.12610 187.6
[M]- 362.12720 187.6
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

patents stripe