CID 3060442

1h-indole-3-acetic acid, 2-methyl-, 2-((2-hydroxyphenyl)methyl)hydrazide

Structural Information

Molecular Formula
C18H19N3O2
SMILES
CC1=C(C2=CC=CC=C2N1)CC(=O)NNCC3=CC=CC=C3O
InChI
InChI=1S/C18H19N3O2/c1-12-15(14-7-3-4-8-16(14)20-12)10-18(23)21-19-11-13-6-2-5-9-17(13)22/h2-9,19-20,22H,10-11H2,1H3,(H,21,23)
InChIKey
YIBRSIFNUKMBEW-UHFFFAOYSA-N
Compound name
N'-[(2-hydroxyphenyl)methyl]-2-(2-methyl-1H-indol-3-yl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.14774 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.155016 170.5
[M+Na]+ 332.136958 177.6
[M-H]- 308.140464 174.9
[M+NH4]+ 327.181563 184.9
[M+K]+ 348.110898 171.5
[M+H-H2O]+ 292.145000 162.4
[M+HCOO]- 354.145941 192.9
[M+CH3COO]- 368.161591 206.2
[M+Na-2H]- 330.122406 175.1
[M]+ 309.14719142 170.2
[M]- 309.14828858 170.2
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.