CID 6866268

306302-13-6

Structural Information

Molecular Formula
C15H16N4O2
SMILES
COC1=CC=C(C=C1)/C=N/NC(=O)C2=NNC(=C2)C3CC3
InChI
InChI=1S/C15H16N4O2/c1-21-12-6-2-10(3-7-12)9-16-19-15(20)14-8-13(17-18-14)11-4-5-11/h2-3,6-9,11H,4-5H2,1H3,(H,17,18)(H,19,20)/b16-9+
InChIKey
ZWBOBMGGHYRUJR-CXUHLZMHSA-N
Compound name
5-cyclopropyl-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.12732 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13460 165.0
[M+Na]+ 307.11654 173.3
[M-H]- 283.12004 172.9
[M+NH4]+ 302.16114 174.4
[M+K]+ 323.09048 167.6
[M+H-H2O]+ 267.12458 156.1
[M+HCOO]- 329.12552 189.6
[M+CH3COO]- 343.14117 205.4
[M+Na-2H]- 305.10199 168.8
[M]+ 284.12677 167.3
[M]- 284.12787 167.3
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.