CID 86001

Cyclopentanone, 2-heptylidene-, (2,4-dinitrophenyl)hydrazone

Structural Information

Molecular Formula
C18H24N4O4
SMILES
CCCCCCC=C1CCCC1=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C18H24N4O4/c1-2-3-4-5-6-8-14-9-7-10-16(14)19-20-17-12-11-15(21(23)24)13-18(17)22(25)26/h8,11-13,20H,2-7,9-10H2,1H3
InChIKey
QSLDBABBZLIKDV-UHFFFAOYSA-N
Compound name
N-[(2-heptylidenecyclopentylidene)amino]-2,4-dinitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.17975 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.187026 189.1
[M+Na]+ 383.168968 190.1
[M-H]- 359.172474 195.5
[M+NH4]+ 378.213573 200.9
[M+K]+ 399.142908 178.1
[M+H-H2O]+ 343.177010 189.0
[M+HCOO]- 405.177951 214.5
[M+CH3COO]- 419.193601 210.3
[M+Na-2H]- 381.154416 192.8
[M]+ 360.17920142 184.3
[M]- 360.18029858 184.3
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.