CID 6900541

307975-64-0

Structural Information

Molecular Formula
C18H17N5O
SMILES
CN1C=CC=C1C2=NNC(=C2)C(=O)N/N=C/C=C/C3=CC=CC=C3
InChI
InChI=1S/C18H17N5O/c1-23-12-6-10-17(23)15-13-16(21-20-15)18(24)22-19-11-5-9-14-7-3-2-4-8-14/h2-13H,1H3,(H,20,21)(H,22,24)/b9-5+,19-11+
InChIKey
GERRQXCIZOVTMW-QJEBJFPOSA-N
Compound name
3-(1-methylpyrrol-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

319.1433 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.15058 174.1
[M+Na]+ 342.13252 181.6
[M-H]- 318.13602 181.1
[M+NH4]+ 337.17712 187.0
[M+K]+ 358.10646 175.4
[M+H-H2O]+ 302.14056 163.4
[M+HCOO]- 364.14150 199.4
[M+CH3COO]- 378.15715 184.9
[M+Na-2H]- 340.11797 176.7
[M]+ 319.14275 174.5
[M]- 319.14385 174.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.