CID 132350609

503471-31-6

Structural Information

Molecular Formula
C21H17N3O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC4=NC=C(C=N4)C(=O)O
InChI
InChI=1S/C21H17N3O4/c25-20(26)13-9-22-19(23-10-13)11-24-21(27)28-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-10,18H,11-12H2,(H,24,27)(H,25,26)
InChIKey
VZMVBKVWDIQXJP-UHFFFAOYSA-N
Compound name
2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.12192 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.12920 187.8
[M+Na]+ 398.11114 200.4
[M+NH4]+ 393.15574 193.9
[M+K]+ 414.08508 195.8
[M-H]- 374.11464 190.6
[M+Na-2H]- 396.09659 193.4
[M]+ 375.12137 190.1
[M]- 375.12247 190.1
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

No patent data available for this compound.