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]+ 361.18703 189.1
[M+Na]+ 383.16897 190.1
[M-H]- 359.17247 195.5
[M+NH4]+ 378.21357 200.9
[M+K]+ 399.14291 178.1
[M+H-H2O]+ 343.17701 189.0
[M+HCOO]- 405.17795 214.5
[M+CH3COO]- 419.19360 210.3
[M+Na-2H]- 381.15442 192.8
[M]+ 360.17920 184.3
[M]- 360.18030 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.