CID 135429825

Nsc82816

Structural Information

Molecular Formula
C14H17N3O
SMILES
C1CCCN(CC1)/N=C\2/C3=CC=CC=C3NC2=O
InChI
InChI=1S/C14H17N3O/c18-14-13(11-7-3-4-8-12(11)15-14)16-17-9-5-1-2-6-10-17/h3-4,7-8H,1-2,5-6,9-10H2,(H,15,16,18)
InChIKey
YYPBWTWSZZNXPX-UHFFFAOYSA-N
Compound name
(3Z)-3-(azepan-1-ylimino)-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.13716 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.14444 155.9
[M+Na]+ 266.12638 160.2
[M-H]- 242.12988 161.1
[M+NH4]+ 261.17098 171.6
[M+K]+ 282.10032 159.3
[M+H-H2O]+ 226.13442 147.0
[M+HCOO]- 288.13536 173.5
[M+CH3COO]- 302.15101 166.0
[M+Na-2H]- 264.11183 158.8
[M]+ 243.13661 147.1
[M]- 243.13771 147.1
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.