CID 135484931

Nsc673835

Structural Information

Molecular Formula
C10H12N4O3S
SMILES
CCNC(=S)N/N=C/C1=C(C=CC(=C1)[N+](=O)[O-])O
InChI
InChI=1S/C10H12N4O3S/c1-2-11-10(18)13-12-6-7-5-8(14(16)17)3-4-9(7)15/h3-6,15H,2H2,1H3,(H2,11,13,18)/b12-6+
InChIKey
RBMLXWGQAMURNK-WUXMJOGZSA-N
Compound name
1-ethyl-3-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.06302 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.07030 153.7
[M+Na]+ 291.05224 158.3
[M-H]- 267.05574 157.1
[M+NH4]+ 286.09684 168.6
[M+K]+ 307.02618 150.6
[M+H-H2O]+ 251.06028 150.5
[M+HCOO]- 313.06122 175.7
[M+CH3COO]- 327.07687 195.1
[M+Na-2H]- 289.03769 158.7
[M]+ 268.06247 151.6
[M]- 268.06357 151.6
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.