CID 360038

Benzanilguanidine

Structural Information

Molecular Formula
C27H23N5O2S
SMILES
C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)C5=CC=CC=C52
InChI
InChI=1S/C27H23N5O2S/c28-27(29)31-35(33,34)21-16-14-20(15-17-21)30-26-22-10-4-6-12-24(22)32(18-19-8-2-1-3-9-19)25-13-7-5-11-23(25)26/h1-17H,18H2,(H4,28,29,31)
InChIKey
JNUCFODXWDIYTP-UHFFFAOYSA-N
Compound name
2-[4-[(10-benzylacridin-9-ylidene)amino]phenyl]sulfonylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.15726 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.16454 211.9
[M+Na]+ 504.14648 219.4
[M-H]- 480.14998 222.9
[M+NH4]+ 499.19108 219.3
[M+K]+ 520.12042 211.7
[M+H-H2O]+ 464.15452 200.1
[M+HCOO]- 526.15546 231.2
[M+CH3COO]- 540.17111 219.9
[M+Na-2H]- 502.13193 220.4
[M]+ 481.15671 213.4
[M]- 481.15781 213.4
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.