CID 478568

Schembl29352418

Structural Information

Molecular Formula
C14H14N4O3
SMILES
CC1=CC=C(C=C1)COC(=O)NNC(=O)C2=NC=CN=C2
InChI
InChI=1S/C14H14N4O3/c1-10-2-4-11(5-3-10)9-21-14(20)18-17-13(19)12-8-15-6-7-16-12/h2-8H,9H2,1H3,(H,17,19)(H,18,20)
InChIKey
KPZJLYMKGJHVLC-UHFFFAOYSA-N
Compound name
(4-methylphenyl)methyl N-(pyrazine-2-carbonylamino)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1824
Patents

286.1066 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.11388 164.5
[M+Na]+ 309.09582 170.2
[M-H]- 285.09932 168.5
[M+NH4]+ 304.14042 176.3
[M+K]+ 325.06976 167.4
[M+H-H2O]+ 269.10386 154.5
[M+HCOO]- 331.10480 187.3
[M+CH3COO]- 345.12045 202.3
[M+Na-2H]- 307.08127 170.7
[M]+ 286.10605 164.8
[M]- 286.10715 164.8
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.