CID 3038136

29023-85-6

Structural Information

Molecular Formula
C18H18N4S
SMILES
CC(=NN(C)C(=S)NC1=C2C=CC=CC2=NC3=CC=CC=C31)C
InChI
InChI=1S/C18H18N4S/c1-12(2)21-22(3)18(23)20-17-13-8-4-6-10-15(13)19-16-11-7-5-9-14(16)17/h4-11H,1-3H3,(H,19,20,23)
InChIKey
OTYZLVRFJPWZQK-UHFFFAOYSA-N
Compound name
3-acridin-9-yl-1-methyl-1-(propan-2-ylideneamino)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.1252 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.13248 172.8
[M+Na]+ 345.11442 180.2
[M-H]- 321.11792 179.4
[M+NH4]+ 340.15902 188.8
[M+K]+ 361.08836 175.6
[M+H-H2O]+ 305.12246 164.0
[M+HCOO]- 367.12340 192.1
[M+CH3COO]- 381.13905 183.9
[M+Na-2H]- 343.09987 179.3
[M]+ 322.12465 176.6
[M]- 322.12575 176.6
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.