CID 744893

306304-13-2

Structural Information

Molecular Formula
C19H15N5O2
SMILES
CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N=NC3=C(NC4=CC=CC=C43)O
InChI
InChI=1S/C19H15N5O2/c1-11-6-8-12(9-7-11)15-10-16(22-21-15)18(25)24-23-17-13-4-2-3-5-14(13)20-19(17)26/h2-10,20,26H,1H3,(H,21,22)
InChIKey
QUOBJJGZOKWLBA-UHFFFAOYSA-N
Compound name
N-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.1226 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.12988 177.8
[M+Na]+ 368.11182 187.0
[M-H]- 344.11532 185.5
[M+NH4]+ 363.15642 190.3
[M+K]+ 384.08576 180.5
[M+H-H2O]+ 328.11986 168.2
[M+HCOO]- 390.12080 201.0
[M+CH3COO]- 404.13645 188.6
[M+Na-2H]- 366.09727 181.2
[M]+ 345.12205 178.8
[M]- 345.12315 178.8
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.