CID 216482

Brn 5389777

Structural Information

Molecular Formula
C9H13N5O2S
SMILES
CC1(CN=C(N1C)N(C2=NC=CS2)[N+](=O)[O-])C
InChI
InChI=1S/C9H13N5O2S/c1-9(2)6-11-7(12(9)3)13(14(15)16)8-10-4-5-17-8/h4-5H,6H2,1-3H3
InChIKey
UDMVZIFWYZMZGU-UHFFFAOYSA-N
Compound name
N-(1,3-thiazol-2-yl)-N-(1,5,5-trimethyl-4H-imidazol-2-yl)nitramide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.079 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.08628 151.5
[M+Na]+ 278.06822 159.7
[M-H]- 254.07172 157.2
[M+NH4]+ 273.11282 170.2
[M+K]+ 294.04216 154.9
[M+H-H2O]+ 238.07626 148.7
[M+HCOO]- 300.07720 171.4
[M+CH3COO]- 314.09285 190.3
[M+Na-2H]- 276.05367 155.6
[M]+ 255.07845 152.5
[M]- 255.07955 152.5
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.