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]+ 232.144436 152.4
[M+Na]+ 254.126378 158.8
[M-H]- 230.129884 154.5
[M+NH4]+ 249.170983 170.6
[M+K]+ 270.100318 155.1
[M+H-H2O]+ 214.134420 145.2
[M+HCOO]- 276.135361 175.4
[M+CH3COO]- 290.151011 193.8
[M+Na-2H]- 252.111826 157.5
[M]+ 231.13661142 151.7
[M]- 231.13770858 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.