CID 27198

Brn 0480722

Structural Information

Molecular Formula
C13H17N3O
SMILES
CC(C)NNC(=O)CC1=CNC2=CC=CC=C21
InChI
InChI=1S/C13H17N3O/c1-9(2)15-16-13(17)7-10-8-14-12-6-4-3-5-11(10)12/h3-6,8-9,14-15H,7H2,1-2H3,(H,16,17)
InChIKey
IKDUWSZVJGHVLZ-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-yl)-N'-propan-2-ylacetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.13716 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.14444 152.4
[M+Na]+ 254.12638 158.8
[M-H]- 230.12988 154.5
[M+NH4]+ 249.17098 170.6
[M+K]+ 270.10032 155.1
[M+H-H2O]+ 214.13442 145.2
[M+HCOO]- 276.13536 175.4
[M+CH3COO]- 290.15101 193.8
[M+Na-2H]- 252.11183 157.5
[M]+ 231.13661 151.7
[M]- 231.13771 151.7
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.