CID 170048

38432-19-8

Structural Information

Molecular Formula
C16H17N9O2
SMILES
CC(C)NC1=C2C(=NC(=N1)N(C)C)N3C(=C4C=C(C=CC4=N3)[N+](=O)[O-])N=N2
InChI
InChI=1S/C16H17N9O2/c1-8(2)17-13-12-15(19-16(18-13)23(3)4)24-14(21-20-12)10-7-9(25(26)27)5-6-11(10)22-24/h5-8H,1-4H3,(H,17,18,19)
InChIKey
CJPNQUBNSDHCSV-UHFFFAOYSA-N
Compound name
4-N,4-N-dimethyl-13-nitro-6-N-propan-2-yl-1,3,5,8,9,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,12,14,16-octaene-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

367.1505 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.15778 178.5
[M+Na]+ 390.13972 193.5
[M+NH4]+ 385.18432 183.8
[M+K]+ 406.11366 192.7
[M-H]- 366.14322 181.2
[M+Na-2H]- 388.12517 183.9
[M]+ 367.14995 181.1
[M]- 367.15105 181.1
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.