CID 422686

(10-methyl-9-anthryl)methyl imidothiocarbamate

Structural Information

Molecular Formula
C17H16N2S
SMILES
CC1=C2C=CC=CC2=C(C3=CC=CC=C13)CSC(=N)N
InChI
InChI=1S/C17H16N2S/c1-11-12-6-2-4-8-14(12)16(10-20-17(18)19)15-9-5-3-7-13(11)15/h2-9H,10H2,1H3,(H3,18,19)
InChIKey
HXWYHTMSLSSLAO-UHFFFAOYSA-N
Compound name
(10-methylanthracen-9-yl)methyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

6
Patents

280.10342 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.110696 160.3
[M+Na]+ 303.092638 169.4
[M-H]- 279.096144 165.5
[M+NH4]+ 298.137243 178.6
[M+K]+ 319.066578 162.7
[M+H-H2O]+ 263.100680 153.5
[M+HCOO]- 325.101621 178.6
[M+CH3COO]- 339.117271 172.1
[M+Na-2H]- 301.078086 166.1
[M]+ 280.10287142 161.8
[M]- 280.10396858 161.8
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