CID 135398738

Dacarbazine

Structural Information

Molecular Formula
C6H10N6O
SMILES
CN(C)/N=N/C1=C(NC=N1)C(=O)N
InChI
InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9)/b11-10+
InChIKey
FDKXTQMXEQVLRF-ZHACJKMWSA-N
Compound name
4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

8547
References

59684
Patents

182.09161 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.098886 136.4
[M+Na]+ 205.080828 143.2
[M-H]- 181.084334 140.4
[M+NH4]+ 200.125433 155.1
[M+K]+ 221.054768 143.8
[M+H-H2O]+ 165.088870 127.5
[M+HCOO]- 227.089811 165.1
[M+CH3COO]- 241.105461 194.7
[M+Na-2H]- 203.066276 142.4
[M]+ 182.09106142 135.7
[M]- 182.09215858 135.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe