CID 5468579

Nsc671902

Structural Information

Molecular Formula
C15H17IN2O2
SMILES
CC(=O)NCCC1CN(C2=CC=CC=C12)C(=O)/C=C/I
InChI
InChI=1S/C15H17IN2O2/c1-11(19)17-9-7-12-10-18(15(20)6-8-16)14-5-3-2-4-13(12)14/h2-6,8,12H,7,9-10H2,1H3,(H,17,19)/b8-6+
InChIKey
MHGHKECOHLJWOC-SOFGYWHQSA-N
Compound name
N-[2-[1-[(E)-3-iodoprop-2-enoyl]-2,3-dihydroindol-3-yl]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.03348 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.04076 172.5
[M+Na]+ 407.02270 171.7
[M-H]- 383.02620 168.1
[M+NH4]+ 402.06730 185.0
[M+K]+ 422.99664 173.6
[M+H-H2O]+ 367.03074 161.8
[M+HCOO]- 429.03168 187.7
[M+CH3COO]- 443.04733 208.4
[M+Na-2H]- 405.00815 161.8
[M]+ 384.03293 169.9
[M]- 384.03403 169.9
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.