CID 5974860

18326-70-0

Structural Information

Molecular Formula
C19H24N4O4
SMILES
CC/C(=N\NC1=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/b21-18+
InChIKey
ZOOUBZHWRXKNPH-DYTRJAOYSA-N
Compound name
N-[(E)-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]+ 373.187026 171.5
[M+Na]+ 395.168968 167.4
[M-H]- 371.172474 169.2
[M+NH4]+ 390.213573 186.9
[M+K]+ 411.142908 158.1
[M+H-H2O]+ 355.177010 171.3
[M+HCOO]- 417.177951 181.3
[M+CH3COO]- 431.193601 220.5
[M+Na-2H]- 393.154416 184.8
[M]+ 372.17920142 168.1
[M]- 372.18029858 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.