CID 210070

20904-09-0

Structural Information

Molecular Formula
C16H18N2O
SMILES
CN(C)CCCN1C2=CC=CC3=C2C(=CC=C3)C1=O
InChI
InChI=1S/C16H18N2O/c1-17(2)10-5-11-18-14-9-4-7-12-6-3-8-13(15(12)14)16(18)19/h3-4,6-9H,5,10-11H2,1-2H3
InChIKey
BMTXMWZTHWASHB-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)propyl]benzo[cd]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

254.1419 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.149176 159.6
[M+Na]+ 277.131118 167.8
[M-H]- 253.134624 164.3
[M+NH4]+ 272.175723 180.2
[M+K]+ 293.105058 164.2
[M+H-H2O]+ 237.139160 152.1
[M+HCOO]- 299.140101 181.5
[M+CH3COO]- 313.155751 204.3
[M+Na-2H]- 275.116566 164.5
[M]+ 254.14135142 163.5
[M]- 254.14244858 163.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.