CID 3042904

Azulenecarboxamide, 1-(n-methylpiperazinyl)-, hydrochloride

Structural Information

Molecular Formula
C16H18N2O
SMILES
CN1CCN(CC1)C(=O)C2=C3C=CC=CC=C3C=C2
InChI
InChI=1S/C16H18N2O/c1-17-9-11-18(12-10-17)16(19)15-8-7-13-5-3-2-4-6-14(13)15/h2-8H,9-12H2,1H3
InChIKey
PKNQFCIBYGOKQP-UHFFFAOYSA-N
Compound name
azulen-1-yl-(4-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1419 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14918 159.5
[M+Na]+ 277.13112 170.4
[M+NH4]+ 272.17572 167.1
[M+K]+ 293.10506 166.4
[M-H]- 253.13462 162.3
[M+Na-2H]- 275.11657 165.7
[M]+ 254.14135 161.8
[M]- 254.14245 161.8
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.