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 195.0
[M+Na]+ 429.15332 200.8
[M-H]- 405.15682 198.8
[M+NH4]+ 424.19792 205.7
[M+K]+ 445.12726 195.9
[M+H-H2O]+ 389.16136 185.4
[M+HCOO]- 451.16230 212.4
[M+CH3COO]- 465.17795 222.4
[M+Na-2H]- 427.13877 195.6
[M]+ 406.16355 199.0
[M]- 406.16465 199.0
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.