CID 135770289

100098-14-4

Structural Information

Molecular Formula
C12H18N6OS
SMILES
C/C(=N\NC(=S)N)/C(=NC1=CC=C(C=C1)N(C)C)NO
InChI
InChI=1S/C12H18N6OS/c1-8(15-16-12(13)20)11(17-19)14-9-4-6-10(7-5-9)18(2)3/h4-7,19H,1-3H3,(H,14,17)(H3,13,16,20)/b15-8+
InChIKey
NCEPQQFDGILDCJ-OVCLIPMQSA-N
Compound name
[(E)-[1-[4-(dimethylamino)phenyl]imino-1-(hydroxyamino)propan-2-ylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.12628 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.13356 168.6
[M+Na]+ 317.11550 172.7
[M+NH4]+ 312.16010 173.8
[M+K]+ 333.08944 167.9
[M-H]- 293.11900 171.9
[M+Na-2H]- 315.10095 172.4
[M]+ 294.12573 169.7
[M]- 294.12683 169.7
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.