CID 6888627

303104-86-1

Structural Information

Molecular Formula
C17H17N5O2
SMILES
CN1C=CC=C1C2=NNC(=C2)C(=O)N/N=C/C3=CC=CC=C3OC
InChI
InChI=1S/C17H17N5O2/c1-22-9-5-7-15(22)13-10-14(20-19-13)17(23)21-18-11-12-6-3-4-8-16(12)24-2/h3-11H,1-2H3,(H,19,20)(H,21,23)/b18-11+
InChIKey
OUDNXOPNUCFLIT-WOJGMQOQSA-N
Compound name
N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1382 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14548 173.1
[M+Na]+ 346.12742 181.3
[M-H]- 322.13092 180.7
[M+NH4]+ 341.17202 186.1
[M+K]+ 362.10136 176.6
[M+H-H2O]+ 306.13546 162.7
[M+HCOO]- 368.13640 198.8
[M+CH3COO]- 382.15205 210.2
[M+Na-2H]- 344.11287 175.7
[M]+ 323.13765 175.7
[M]- 323.13875 175.7
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.