CID 9557103

303106-82-3

Structural Information

Molecular Formula
C17H17N5O
SMILES
CC1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC=CN3C
InChI
InChI=1S/C17H17N5O/c1-12-5-7-13(8-6-12)11-18-21-17(23)15-10-14(19-20-15)16-4-3-9-22(16)2/h3-11H,1-2H3,(H,19,20)(H,21,23)/b18-11+
InChIKey
HLDJRHKYZFZONF-WOJGMQOQSA-N
Compound name
N-[(E)-(4-methylphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1433 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.15058 170.7
[M+Na]+ 330.13252 179.2
[M-H]- 306.13602 178.2
[M+NH4]+ 325.17712 184.4
[M+K]+ 346.10646 173.7
[M+H-H2O]+ 290.14056 160.4
[M+HCOO]- 352.14150 196.2
[M+CH3COO]- 366.15715 182.2
[M+Na-2H]- 328.11797 173.1
[M]+ 307.14275 172.0
[M]- 307.14385 172.0
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.