CID 132350894

2138384-35-5

Structural Information

Molecular Formula
C22H22N4O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCCN4C=C(N=N4)C(=O)O
InChI
InChI=1S/C22H22N4O4/c27-21(28)20-13-26(25-24-20)12-6-5-11-23-22(29)30-14-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10,13,19H,5-6,11-12,14H2,(H,23,29)(H,27,28)
InChIKey
WSAOIKVSAXSXOW-UHFFFAOYSA-N
Compound name
1-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butyl]triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.1641 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.17138 196.8
[M+Na]+ 429.15332 206.9
[M+NH4]+ 424.19792 201.5
[M+K]+ 445.12726 205.0
[M-H]- 405.15682 197.8
[M+Na-2H]- 427.13877 200.0
[M]+ 406.16355 198.1
[M]- 406.16465 198.1
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.