CID 88056

Dtxsid80941164

Structural Information

Molecular Formula
C14H22N4O2
SMILES
CCCCN(C1=CC=C(C=C1)N(CCCC)N=O)N=O
InChI
InChI=1S/C14H22N4O2/c1-3-5-11-17(15-19)13-7-9-14(10-8-13)18(16-20)12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
InChIKey
RJJJIBJBIYMDEC-UHFFFAOYSA-N
Compound name
N-butyl-N-[4-[butyl(nitroso)amino]phenyl]nitrous amide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

278.1743 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.181576 165.9
[M+Na]+ 301.163518 170.1
[M-H]- 277.167024 174.3
[M+NH4]+ 296.208123 183.1
[M+K]+ 317.137458 171.4
[M+H-H2O]+ 261.171560 156.3
[M+HCOO]- 323.172501 197.5
[M+CH3COO]- 337.188151 221.9
[M+Na-2H]- 299.148966 171.3
[M]+ 278.17375142 172.6
[M]- 278.17484858 172.6
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

patents stripe