CID 3975177

Akos024434725

Structural Information

Molecular Formula
C19H24N4O4
SMILES
CCC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C19H24N4O4/c1-2-18(19-9-12-5-13(10-19)7-14(6-12)11-19)21-20-16-4-3-15(22(24)25)8-17(16)23(26)27/h3-4,8,12-14,20H,2,5-7,9-11H2,1H3
InChIKey
ZOOUBZHWRXKNPH-UHFFFAOYSA-N
Compound name
N-[1-(1-adamantyl)propylideneamino]-2,4-dinitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.17975 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.18703 171.5
[M+Na]+ 395.16897 167.4
[M-H]- 371.17247 169.2
[M+NH4]+ 390.21357 186.9
[M+K]+ 411.14291 158.1
[M+H-H2O]+ 355.17701 171.3
[M+HCOO]- 417.17795 181.3
[M+CH3COO]- 431.19360 220.5
[M+Na-2H]- 393.15442 184.8
[M]+ 372.17920 168.1
[M]- 372.18030 168.1
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.