CID 63310433

954147-16-1

Structural Information

Molecular Formula
C17H15N5O2
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC4=NNN=N4
InChI
InChI=1S/C17H15N5O2/c23-17(18-9-16-19-21-22-20-16)24-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,18,23)(H,19,20,21,22)
InChIKey
LNMWKUOAUJWUPR-UHFFFAOYSA-N
Compound name
9H-fluoren-9-ylmethyl N-(2H-tetrazol-5-ylmethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1226 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.12988 171.3
[M+Na]+ 344.11182 179.3
[M-H]- 320.11532 174.2
[M+NH4]+ 339.15642 184.4
[M+K]+ 360.08576 173.7
[M+H-H2O]+ 304.11986 161.4
[M+HCOO]- 366.12080 189.7
[M+CH3COO]- 380.13645 181.2
[M+Na-2H]- 342.09727 175.8
[M]+ 321.12205 172.5
[M]- 321.12315 172.5
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.