CID 3044329

Brn 0455326

Structural Information

Molecular Formula
C21H20N4O2
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=C(C4=CC=CC=C4N3)OCCNN
InChI
InChI=1S/C21H20N4O2/c22-23-12-13-27-20-16-9-3-4-10-18(16)24-19(20)21(26)25-17-11-5-7-14-6-1-2-8-15(14)17/h1-11,23-24H,12-13,22H2,(H,25,26)
InChIKey
VATFGUOFHPOVND-UHFFFAOYSA-N
Compound name
3-(2-hydrazinylethoxy)-N-naphthalen-1-yl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.15863 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16591 179.1
[M+Na]+ 383.14785 185.5
[M-H]- 359.15135 184.9
[M+NH4]+ 378.19245 192.1
[M+K]+ 399.12179 179.1
[M+H-H2O]+ 343.15589 170.0
[M+HCOO]- 405.15683 202.0
[M+CH3COO]- 419.17248 188.8
[M+Na-2H]- 381.13330 185.6
[M]+ 360.15808 178.9
[M]- 360.15918 178.9
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.