CID 79309351

1511834-90-4

Structural Information

Molecular Formula
C21H18N4O4
SMILES
C1C(CN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)N5C=C(N=N5)C(=O)O
InChI
InChI=1S/C21H18N4O4/c26-20(27)19-11-25(23-22-19)13-9-24(10-13)21(28)29-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,11,13,18H,9-10,12H2,(H,26,27)
InChIKey
VBUVQKCBQJHALG-UHFFFAOYSA-N
Compound name
1-[1-(9H-fluoren-9-ylmethoxycarbonyl)azetidin-3-yl]triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.1328 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.14008 188.8
[M+Na]+ 413.12202 194.4
[M-H]- 389.12552 194.3
[M+NH4]+ 408.16662 192.6
[M+K]+ 429.09596 193.0
[M+H-H2O]+ 373.13006 173.8
[M+HCOO]- 435.13100 202.0
[M+CH3COO]- 449.14665 196.7
[M+Na-2H]- 411.10747 187.0
[M]+ 390.13225 199.2
[M]- 390.13335 199.2
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.