CID 24777523

[2-[(2e)-2-(9-anthrylmethylene)hydrazino]-4-quinolyl]-(4-methylpiperazin-1-yl)methanone

Structural Information

Molecular Formula
C30H27N5O
SMILES
CN1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)N/N=C/C4=C5C=CC=CC5=CC6=CC=CC=C64
InChI
InChI=1S/C30H27N5O/c1-34-14-16-35(17-15-34)30(36)26-19-29(32-28-13-7-6-12-25(26)28)33-31-20-27-23-10-4-2-8-21(23)18-22-9-3-5-11-24(22)27/h2-13,18-20H,14-17H2,1H3,(H,32,33)/b31-20+
InChIKey
VCXVDLGKIOAVKG-AJBULDERSA-N
Compound name
[2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.22156 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.22884 215.4
[M+Na]+ 496.21078 220.6
[M-H]- 472.21428 223.0
[M+NH4]+ 491.25538 220.6
[M+K]+ 512.18472 211.4
[M+H-H2O]+ 456.21882 199.8
[M+HCOO]- 518.21976 229.5
[M+CH3COO]- 532.23541 221.1
[M+Na-2H]- 494.19623 221.3
[M]+ 473.22101 212.5
[M]- 473.22211 212.5
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.