CID 11954235

Exametazime

Structural Information

Molecular Formula
C13H27N4O2
SMILES
C[C@H](/C(=N/O)/C)NCC(C)(C)CN[C@H](C)/C(=N/[O-])/C
InChI
InChI=1S/C13H28N4O2/c1-9(11(3)16-18)14-7-13(5,6)8-15-10(2)12(4)17-19/h9-10,14-15,18-19H,7-8H2,1-6H3/p-1/b16-11+,17-12+/t9-,10-/m1/s1
InChIKey
BPNZYADGDZPRTK-UDUYQYQQSA-M
Compound name
(NE)-N-[(3R)-3-[[2,2-dimethyl-3-[[(2R,3E)-3-oxidoiminobutan-2-yl]amino]propyl]amino]butan-2-ylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3017
References

1139
Patents

271.2134 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.22068 169.4
[M+Na]+ 294.20262 170.4
[M-H]- 270.20612 168.5
[M+NH4]+ 289.24722 184.2
[M+K]+ 310.17656 171.6
[M+H-H2O]+ 254.21066 164.7
[M+HCOO]- 316.21160 191.1
[M+CH3COO]- 330.22725 211.8
[M+Na-2H]- 292.18807 169.3
[M]+ 271.21285 167.7
[M]- 271.21395 167.7
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.