CID 2328614

2-(4-methyl-1-piperazinyl)benz(cd)indole hydrochloride hydrate (2:4:1)

Structural Information

Molecular Formula
C16H17N3
SMILES
CN1CCN(CC1)C2=NC3=CC=CC4=C3C2=CC=C4
InChI
InChI=1S/C16H17N3/c1-18-8-10-19(11-9-18)16-13-6-2-4-12-5-3-7-14(17-16)15(12)13/h2-7H,8-11H2,1H3
InChIKey
UBQNBATYJUEXJW-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)benzo[cd]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

251.14224 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.14952 159.0
[M+Na]+ 274.13146 174.2
[M+NH4]+ 269.17606 168.9
[M+K]+ 290.10540 167.1
[M-H]- 250.13496 163.0
[M+Na-2H]- 272.11691 165.7
[M]+ 251.14169 162.4
[M]- 251.14279 162.4
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

patents stripe