CID 94004156

1188481-21-1

Structural Information

Molecular Formula
C21H18N4O3
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC4=NC=C(C=C4)/C(=N\O)/N
InChI
InChI=1S/C21H18N4O3/c22-20(25-27)13-9-10-19(23-11-13)24-21(26)28-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-11,18,27H,12H2,(H2,22,25)(H,23,24,26)
InChIKey
WLUZWRQIWQNQRU-UHFFFAOYSA-N
Compound name
9H-fluoren-9-ylmethyl N-[5-[(E)-N'-hydroxycarbamimidoyl]pyridin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.13788 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.14516 187.8
[M+Na]+ 397.12710 198.8
[M+NH4]+ 392.17170 194.4
[M+K]+ 413.10104 194.1
[M-H]- 373.13060 192.6
[M+Na-2H]- 395.11255 193.8
[M]+ 374.13733 190.3
[M]- 374.13843 190.3
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.