CID 383139

Nsc671180

Structural Information

Molecular Formula
C19H18N4O4
SMILES
C1=CC=C(C=C1)C2=NN(C(=C2COC(=O)N)COC(=O)N)C3=CC=CC=C3
InChI
InChI=1S/C19H18N4O4/c20-18(24)26-11-15-16(12-27-19(21)25)23(14-9-5-2-6-10-14)22-17(15)13-7-3-1-4-8-13/h1-10H,11-12H2,(H2,20,24)(H2,21,25)
InChIKey
FYNCVWMPCPGNDH-UHFFFAOYSA-N
Compound name
[5-(carbamoyloxymethyl)-1,3-diphenylpyrazol-4-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.1328 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.14008 184.3
[M+Na]+ 389.12202 190.1
[M-H]- 365.12552 191.2
[M+NH4]+ 384.16662 193.9
[M+K]+ 405.09596 186.2
[M+H-H2O]+ 349.13006 173.6
[M+HCOO]- 411.13100 206.4
[M+CH3COO]- 425.14665 218.0
[M+Na-2H]- 387.10747 184.6
[M]+ 366.13225 184.9
[M]- 366.13335 184.9
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.