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 183.5
[M+Na]+ 397.12710 189.1
[M-H]- 373.13060 190.4
[M+NH4]+ 392.17170 196.3
[M+K]+ 413.10104 184.4
[M+H-H2O]+ 357.13514 174.1
[M+HCOO]- 419.13608 205.8
[M+CH3COO]- 433.15173 193.0
[M+Na-2H]- 395.11255 188.3
[M]+ 374.13733 183.5
[M]- 374.13843 183.5
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.