CID 3087672

Brn 5574621

Structural Information

Molecular Formula
C15H13N3O2
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)OCC3=CNN=C3
InChI
InChI=1S/C15H13N3O2/c19-15(20-10-11-8-16-17-9-11)18-14-7-3-5-12-4-1-2-6-13(12)14/h1-9H,10H2,(H,16,17)(H,18,19)
InChIKey
XQCVCBPTVPMRNF-UHFFFAOYSA-N
Compound name
1H-pyrazol-4-ylmethyl N-naphthalen-1-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.10077 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.108046 157.9
[M+Na]+ 290.089988 165.9
[M-H]- 266.093494 162.0
[M+NH4]+ 285.134593 173.1
[M+K]+ 306.063928 160.9
[M+H-H2O]+ 250.098030 149.0
[M+HCOO]- 312.098971 180.5
[M+CH3COO]- 326.114621 169.5
[M+Na-2H]- 288.075436 165.2
[M]+ 267.10022142 158.6
[M]- 267.10131858 158.6
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.