CID 366207

Nsc634535

Structural Information

Molecular Formula
C12H15N5O
SMILES
C=CCNC(=O)CN1NC(=NN1)C2=CC=CC=C2
InChI
InChI=1S/C12H15N5O/c1-2-8-13-11(18)9-17-15-12(14-16-17)10-6-4-3-5-7-10/h2-7,16H,1,8-9H2,(H,13,18)(H,14,15)
InChIKey
JXWJGTDZYMIXKO-UHFFFAOYSA-N
Compound name
2-(5-phenyl-1,3-dihydrotetrazol-2-yl)-N-prop-2-enylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.12766 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.13494 157.3
[M+Na]+ 268.11688 163.2
[M-H]- 244.12038 155.8
[M+NH4]+ 263.16148 168.8
[M+K]+ 284.09082 157.6
[M+H-H2O]+ 228.12492 147.4
[M+HCOO]- 290.12586 174.0
[M+CH3COO]- 304.14151 189.1
[M+Na-2H]- 266.10233 160.5
[M]+ 245.12711 152.4
[M]- 245.12821 152.4
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.