CID 213332

Benzoic acid, p-(2-methyl-5-phenylpyrrol-1-yl)-, hydrazide

Structural Information

Molecular Formula
C18H17N3O
SMILES
CC1=CC=C(N1C2=CC=C(C=C2)C(=O)NN)C3=CC=CC=C3
InChI
InChI=1S/C18H17N3O/c1-13-7-12-17(14-5-3-2-4-6-14)21(13)16-10-8-15(9-11-16)18(22)20-19/h2-12H,19H2,1H3,(H,20,22)
InChIKey
QHNBMGZRXKWHIS-UHFFFAOYSA-N
Compound name
4-(2-methyl-5-phenylpyrrol-1-yl)benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

291.13718 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.14446 168.0
[M+Na]+ 314.12640 175.1
[M-H]- 290.12990 176.7
[M+NH4]+ 309.17100 182.9
[M+K]+ 330.10034 169.7
[M+H-H2O]+ 274.13444 158.8
[M+HCOO]- 336.13538 192.8
[M+CH3COO]- 350.15103 179.5
[M+Na-2H]- 312.11185 170.5
[M]+ 291.13663 166.1
[M]- 291.13773 166.1
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.