CID 132350981

2137843-04-8

Structural Information

Molecular Formula
C23H22N4O4
SMILES
C1CC(N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CN5C=C(N=N5)C(=O)O
InChI
InChI=1S/C23H22N4O4/c28-22(29)21-13-26(25-24-21)12-15-6-5-11-27(15)23(30)31-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,13,15,20H,5-6,11-12,14H2,(H,28,29)
InChIKey
OKVKXOOQPBVJCA-UHFFFAOYSA-N
Compound name
1-[[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]methyl]triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.1641 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.171376 197.8
[M+Na]+ 441.153318 203.7
[M-H]- 417.156824 204.2
[M+NH4]+ 436.197923 208.5
[M+K]+ 457.127258 199.1
[M+H-H2O]+ 401.161360 188.4
[M+HCOO]- 463.162301 211.7
[M+CH3COO]- 477.177951 205.8
[M+Na-2H]- 439.138766 192.9
[M]+ 418.16355142 199.3
[M]- 418.16464858 199.3
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.